##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_global
_audit_creation_method     'WinGX routine CIF_UPDATE'
_audit_conform_dict_name     cif_core.dic
_audit_conform_dict_version     2.3
_journal_date_recd_electronic     2012-03-03
_journal_date_accepted     2012-03-20
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2012
_journal_volume     68
_journal_issue      4
_journal_page_first     o1172
_journal_page_last     o1172
_journal_paper_category     QO
_journal_paper_doi     10.1107/S1600536812011932
_journal_coeditor_code     DS2182
_publ_contact_author_name     'Dr J. Suresh'
_publ_contact_author_address
;
Department of Physics
The Madura College,
Madurai 625 011
India
;
_publ_contact_author_email     'ambujasureshj@yahoo.com'
_publ_contact_author_fax     '+94-41-2292384'
_publ_contact_author_phone     '+94-41-2292200'
_publ_section_title
;\
5-Chlorospiro[indoline-3,7'-6H,7H,8H-pyrano[3,2-c:\
5,6-c']di[1]benzopyran]-2,6',8'-trione
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Almansour, Abdulrahman I.' .
;
Department of Chemistry
College of Sciences
King Saud University
PO Box 2455
Riyadh 11451, Saudi Arabia
;
    'Kumar, Raju Suresh' .
;
Department of Chemistry
College of Sciences
King Saud University
PO Box 2455
Riyadh 11451, Saudi Arabia
;
    'Arumugam, Natarajan' .
;
Department of Chemistry
College of Sciences
King Saud University
PO Box 2455
Riyadh 11451, Saudi Arabia
;
    'Kanagalaksmi, S.' .
;
Department of Physics
The Madura College,
Madurai 625 011
India
;
    'Suresh, J.' .
;
Department of Physics
The Madura College,
Madurai 625 011
India
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
5-Chlorospiro[indoline-3,7'-6H,7H,8H-pyrano[3,2-
c:5,6-c']di[1]benzopyran]-2,6',8'-trione
;
_chemical_name_common     ?
_chemical_formula_moiety     'C26 H12 Cl N O6'
_chemical_formula_sum     'C26 H12 Cl N O6'
_chemical_formula_iupac     'C26 H12 Cl N O6'
_chemical_formula_weight     469.82
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     16.1910(3)
_cell_length_b     12.9931(3)
_cell_length_c     20.8743(4)
_cell_angle_alpha     90.00
_cell_angle_beta     109.0910(10)
_cell_angle_gamma     90.00
_cell_volume     4149.83(15)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     2000
_cell_measurement_theta_min     2
_cell_measurement_theta_max     31
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.21
_exptl_crystal_size_mid     0.19
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.504
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1920
_exptl_absorpt_coefficient_mu     0.231
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.973
_exptl_absorpt_correction_T_max     0.978
_exptl_special_details     ?
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker Kappa APEXII'
_diffrn_measurement_method     'ω and φ'
_diffrn_detector_area_resol_mean     0
_diffrn_reflns_number     35770
_diffrn_reflns_av_R_equivalents     0.0432
_diffrn_reflns_av_sigmaI/netI     0.0616
_diffrn_reflns_theta_min     1.88
_diffrn_reflns_theta_max     29.90
_diffrn_reflns_theta_full     29.90
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full     0.991
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_h_max     22
_diffrn_reflns_limit_k_min     -18
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -29
_diffrn_reflns_limit_l_max     21
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     11888
_reflns_number_gt     8559
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1119
_refine_ls_R_factor_gt     0.0790
_refine_ls_wR_factor_gt     0.1535
_refine_ls_wR_factor_ref     0.1639
_refine_ls_goodness_of_fit_ref     1.161
_refine_ls_restrained_S_all     1.161
_refine_ls_number_reflns     11888
_refine_ls_number_parameters     613
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
        'calc w=1/[σ²(Fo²)+(0.0208P)²+11.0869P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.640
_refine_diff_density_min     -0.803
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'APEX2 (Bruker, 2004)'
_computing_cell_refinement     'SAINT (Bruker, 2004)'
_computing_data_reduction     'SAINT (Bruker, 2004)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'PLATON (Spek, 2009)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1A -0.01322(18) 0.1554(2) 0.45426(14) 0.0166(6) Uani d . 1 1 . .
    C C1B 0.38576(17) 0.9265(2) 0.43954(14) 0.0164(6) Uani d . 1 1 . .
    C C2A -0.07950(18) 0.1436(2) 0.38862(14) 0.0166(6) Uani d . 1 1 . .
    C C2B 0.36099(18) 1.0100(2) 0.39167(15) 0.0183(6) Uani d . 1 1 . .
    C C3A -0.16246(19) 0.1007(2) 0.37875(15) 0.0201(6) Uani d . 1 1 . .
    H H3A -0.1771 0.0759 0.4154 0.024 Uiso calc R 1 1 . .
    C C3B 0.3500(2) 1.1115(3) 0.40901(17) 0.0246(7) Uani d . 1 1 . .
    H H3B 0.3620 1.1296 0.4542 0.029 Uiso calc R 1 1 . .
    C C4A -0.2219(2) 0.0956(3) 0.31394(16) 0.0249(7) Uani d . 1 1 . .
    H H4A -0.2770 0.0677 0.3071 0.030 Uiso calc R 1 1 . .
    C C4B 0.3216(2) 1.1844(3) 0.35926(18) 0.0309(8) Uani d . 1 1 . .
    H H4B 0.3142 1.2520 0.3710 0.037 Uiso calc R 1 1 . .
    C C5A -0.2002(2) 0.1320(3) 0.25879(16) 0.0256(7) Uani d . 1 1 . .
    H H5A -0.2410 0.1282 0.2155 0.031 Uiso calc R 1 1 . .
    C C5B 0.3038(2) 1.1588(3) 0.29149(18) 0.0310(8) Uani d . 1 1 . .
    H H5B 0.2845 1.2092 0.2583 0.037 Uiso calc R 1 1 . .
    C C6A -0.1183(2) 0.1737(3) 0.26765(16) 0.0246(7) Uani d . 1 1 . .
    H H6A -0.1036 0.1975 0.2308 0.030 Uiso calc R 1 1 . .
    C C6B 0.3145(2) 1.0584(3) 0.27312(17) 0.0276(7) Uani d . 1 1 . .
    H H6B 0.3027 1.0407 0.2278 0.033 Uiso calc R 1 1 . .
    C C7A -0.05910(19) 0.1790(2) 0.33282(15) 0.0191(6) Uani d . 1 1 . .
    C C7B 0.34329(18) 0.9847(2) 0.32374(15) 0.0197(6) Uani d . 1 1 . .
    C C8A 0.08564(19) 0.2313(2) 0.40185(15) 0.0193(6) Uani d . 1 1 . .
    C C8B 0.37897(18) 0.8072(2) 0.34880(15) 0.0186(6) Uani d . 1 1 . .
    C C9A 0.06541(18) 0.1972(2) 0.46159(14) 0.0157(6) Uani d . 1 1 . .
    C C9B 0.39228(18) 0.8291(2) 0.42029(14) 0.0160(6) Uani d . 1 1 . .
    C C10A 0.13538(17) 0.2133(2) 0.53026(14) 0.0161(6) Uani d . 1 1 . .
    C C10B 0.40791(17) 0.7387(2) 0.46806(14) 0.0138(5) Uani d . 1 1 . .
    C C11A 0.10273(18) 0.1650(2) 0.58321(14) 0.0169(6) Uani d . 1 1 . .
    C C11B 0.42934(17) 0.7793(2) 0.53972(14) 0.0152(6) Uani d . 1 1 . .
    C C12A 0.16297(19) 0.1617(2) 0.65275(15) 0.0192(6) Uani d . 1 1 . .
    C C12B 0.45802(18) 0.7069(2) 0.59557(15) 0.0175(6) Uani d . 1 1 . .
    C C13A 0.0461(2) 0.0984(2) 0.68946(15) 0.0204(6) Uani d . 1 1 . .
    C C13B 0.46670(19) 0.8459(2) 0.67352(15) 0.0185(6) Uani d . 1 1 . .
    C C14A 0.0207(2) 0.0695(3) 0.74419(16) 0.0263(7) Uani d . 1 1 . .
    H H14A 0.0584 0.0776 0.7883 0.032 Uiso calc R 1 1 . .
    C C14B 0.4861(2) 0.8739(3) 0.74104(16) 0.0241(7) Uani d . 1 1 . .
    H H14B 0.5053 0.8253 0.7754 0.029 Uiso calc R 1 1 . .
    C C15A -0.0614(2) 0.0285(3) 0.73204(17) 0.0294(8) Uani d . 1 1 . .
    H H15A -0.0792 0.0090 0.7684 0.035 Uiso calc R 1 1 . .
    C C15B 0.4764(2) 0.9760(3) 0.75593(16) 0.0268(7) Uani d . 1 1 . .
    H H15B 0.4896 0.9962 0.8009 0.032 Uiso calc R 1 1 . .
    C C16A -0.1185(2) 0.0157(3) 0.66579(17) 0.0261(7) Uani d . 1 1 . .
    H H16A -0.1731 -0.0138 0.6583 0.031 Uiso calc R 1 1 . .
    C C16B 0.4471(2) 1.0488(3) 0.70474(16) 0.0251(7) Uani d . 1 1 . .
    H H16B 0.4398 1.1168 0.7157 0.030 Uiso calc R 1 1 . .
    C C17A -0.0938(2) 0.0470(2) 0.61155(16) 0.0206(6) Uani d . 1 1 . .
    H H17A -0.1321 0.0397 0.5675 0.025 Uiso calc R 1 1 . .
    C C17B 0.4287(2) 1.0207(2) 0.63795(16) 0.0215(6) Uani d . 1 1 . .
    H H17B 0.4096 1.0696 0.6038 0.026 Uiso calc R 1 1 . .
    C C18A -0.01047(19) 0.0899(2) 0.62302(15) 0.0176(6) Uani d . 1 1 . .
    C C18B 0.43903(18) 0.9177(2) 0.62167(14) 0.0169(6) Uani d . 1 1 . .
    C C19A 0.02145(18) 0.1273(2) 0.57045(14) 0.0162(6) Uani d . 1 1 . .
    C C19B 0.42236(17) 0.8796(2) 0.55366(14) 0.0160(6) Uani d . 1 1 . .
    C C20A 0.25197(18) 0.3343(2) 0.55651(14) 0.0177(6) Uani d . 1 1 . .
    C C20B 0.3603(2) 0.5689(2) 0.43396(15) 0.0228(7) Uani d . 1 1 . .
    C C21A 0.29529(19) 0.4267(2) 0.57562(15) 0.0198(6) Uani d . 1 1 . .
    H H21A 0.3547 0.4323 0.5818 0.024 Uiso calc R 1 1 . .
    C C21B 0.3040(3) 0.4868(3) 0.41425(17) 0.0345(9) Uani d . 1 1 . .
    H H21B 0.3241 0.4223 0.4068 0.041 Uiso calc R 1 1 . .
    C C22A 0.2481(2) 0.5107(2) 0.58531(15) 0.0209(6) Uani d . 1 1 . .
    H H22A 0.2757 0.5737 0.5983 0.025 Uiso calc R 1 1 . .
    C C22B 0.2164(3) 0.5033(3) 0.40578(17) 0.0385(10) Uani d . 1 1 . .
    H H22B 0.1769 0.4491 0.3928 0.046 Uiso calc R 1 1 . .
    C C23A 0.15950(19) 0.5007(2) 0.57560(15) 0.0192(6) Uani d . 1 1 . .
    C C23B 0.1875(2) 0.5995(3) 0.41641(16) 0.0293(8) Uani d . 1 1 . .
    C C24A 0.11517(18) 0.4083(2) 0.55557(14) 0.0165(6) Uani d . 1 1 . .
    H H24A 0.0555 0.4032 0.5484 0.020 Uiso calc R 1 1 . .
    C C24B 0.24430(19) 0.6822(3) 0.43870(15) 0.0217(6) Uani d . 1 1 . .
    H H24B 0.2245 0.7463 0.4472 0.026 Uiso calc R 1 1 . .
    C C25A 0.16235(18) 0.3248(2) 0.54681(14) 0.0161(6) Uani d . 1 1 . .
    C C25B 0.33124(18) 0.6645(2) 0.44753(14) 0.0161(6) Uani d . 1 1 . .
    C C26A 0.22395(18) 0.1639(2) 0.53016(15) 0.0187(6) Uani d . 1 1 . .
    C C26B 0.48296(19) 0.6683(3) 0.46144(14) 0.0195(6) Uani d . 1 1 . .
    N N1A 0.28499(15) 0.2396(2) 0.54516(13) 0.0204(5) Uani d . 1 1 . .
    H H1A 0.3384 0.2301 0.5474 0.024 Uiso calc R 1 1 . .
    N N1B 0.44963(18) 0.5739(2) 0.44268(13) 0.0250(6) Uani d . 1 1 . .
    H H1B 0.4798 0.5225 0.4367 0.030 Uiso calc R 1 1 . .
    O O1A -0.03879(12) 0.12121(16) 0.50672(10) 0.0179(4) Uani d . 1 1 . .
    O O1B 0.39990(13) 0.95531(16) 0.50537(10) 0.0193(4) Uani d . 1 1 . .
    O O2A 0.02128(13) 0.22147(17) 0.33975(10) 0.0213(5) Uani d . 1 1 . .
    O O2B 0.35248(14) 0.88599(17) 0.30331(10) 0.0219(5) Uani d . 1 1 . .
    O O3A 0.12997(14) 0.13474(18) 0.70343(10) 0.0232(5) Uani d . 1 1 . .
    O O3B 0.47610(14) 0.74300(17) 0.66028(10) 0.0215(5) Uani d . 1 1 . .
    O O4A 0.15420(14) 0.26765(18) 0.40284(11) 0.0245(5) Uani d . 1 1 . .
    O O4B 0.38904(15) 0.72334(18) 0.32780(11) 0.0250(5) Uani d . 1 1 . .
    O O5A 0.23954(14) 0.18162(19) 0.66861(11) 0.0263(5) Uani d . 1 1 . .
    O O5B 0.46879(14) 0.61531(17) 0.58930(11) 0.0218(5) Uani d . 1 1 . .
    O O6A 0.23407(14) 0.07422(17) 0.51840(11) 0.0231(5) Uani d . 1 1 . .
    O O6B 0.55785(14) 0.6966(2) 0.47220(12) 0.0310(6) Uani d . 1 1 . .
    Cl Cl1 0.10234(5) 0.60744(6) 0.58955(5) 0.03013(19) Uani d . 1 1 . .
    Cl Cl2 0.07605(6) 0.61968(10) 0.40081(5) 0.0485(3) Uani d . 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1A C9A . 1.346(4) ?
    C1A O1A . 1.366(3) ?
    C1A C2A . 1.446(4) ?
    C1B C9B . 1.342(4) ?
    C1B O1B . 1.369(3) ?
    C1B C2B . 1.440(4) ?
    C2A C7A . 1.389(4) ?
    C2A C3A . 1.406(4) ?
    C2B C7B . 1.391(4) ?
    C2B C3B . 1.394(4) ?
    C3A C4A . 1.382(4) ?
    C3A H3A . 0.9300 ?
    C3B C4B . 1.369(5) ?
    C3B H3B . 0.9300 ?
    C4A C5A . 1.392(5) ?
    C4A H4A . 0.9300 ?
    C4B C5B . 1.388(5) ?
    C4B H4B . 0.9300 ?
    C5A C6A . 1.387(5) ?
    C5A H5A . 0.9300 ?
    C5B C6B . 1.387(5) ?
    C5B H5B . 0.9300 ?
    C6A C7A . 1.386(4) ?
    C6A H6A . 0.9300 ?
    C6B C7B . 1.389(4) ?
    C6B H6B . 0.9300 ?
    C7A O2A . 1.377(4) ?
    C7B O2B . 1.374(4) ?
    C8A O4A . 1.200(4) ?
    C8A O2A . 1.378(3) ?
    C8A C9A . 1.458(4) ?
    C8B O4B . 1.206(4) ?
    C8B O2B . 1.366(4) ?
    C8B C9B . 1.464(4) ?
    C9A C10A . 1.523(4) ?
    C9B C10B . 1.508(4) ?
    C10A C11A . 1.509(4) ?
    C10A C25A . 1.520(4) ?
    C10A C26A . 1.572(4) ?
    C10B C11B . 1.516(4) ?
    C10B C25B . 1.518(4) ?
    C10B C26B . 1.563(4) ?
    C11A C19A . 1.347(4) ?
    C11A C12A . 1.461(4) ?
    C11B C19B . 1.348(4) ?
    C11B C12B . 1.451(4) ?
    C12A O5A . 1.202(4) ?
    C12A O3A . 1.377(4) ?
    C12B O5B . 1.216(4) ?
    C12B O3B . 1.368(4) ?
    C13A O3A . 1.376(4) ?
    C13A C14A . 1.387(4) ?
    C13A C18A . 1.394(4) ?
    C13B O3B . 1.384(4) ?
    C13B C18B . 1.387(4) ?
    C13B C14B . 1.388(4) ?
    C14A C15A . 1.376(5) ?
    C14A H14A . 0.9300 ?
    C14B C15B . 1.382(5) ?
    C14B H14B . 0.9300 ?
    C15A C16A . 1.399(5) ?
    C15A H15A . 0.9300 ?
    C15B C16B . 1.389(5) ?
    C15B H15B . 0.9300 ?
    C16A C17A . 1.379(4) ?
    C16A H16A . 0.9300 ?
    C16B C17B . 1.377(4) ?
    C16B H16B . 0.9300 ?
    C17A C18A . 1.406(4) ?
    C17A H17A . 0.9300 ?
    C17B C18B . 1.404(4) ?
    C17B H17B . 0.9300 ?
    C18A C19A . 1.442(4) ?
    C18B C19B . 1.443(4) ?
    C19A O1A . 1.371(3) ?
    C19B O1B . 1.369(3) ?
    C20A C21A . 1.382(4) ?
    C20A N1A . 1.392(4) ?
    C20A C25A . 1.403(4) ?
    C20B C21B . 1.376(5) ?
    C20B C25B . 1.390(4) ?
    C20B N1B . 1.399(4) ?
    C21A C22A . 1.385(4) ?
    C21A H21A . 0.9300 ?
    C21B C22B . 1.388(6) ?
    C21B H21B . 0.9300 ?
    C22A C23A . 1.388(4) ?
    C22A H22A . 0.9300 ?
    C22B C23B . 1.377(6) ?
    C22B H22B . 0.9300 ?
    C23A C24A . 1.391(4) ?
    C23A Cl1 . 1.744(3) ?
    C23B C24B . 1.392(5) ?
    C23B Cl2 . 1.746(3) ?
    C24A C25A . 1.372(4) ?
    C24A H24A . 0.9300 ?
    C24B C25B . 1.378(4) ?
    C24B H24B . 0.9300 ?
    C26A O6A . 1.214(4) ?
    C26A N1A . 1.356(4) ?
    C26B O6B . 1.216(4) ?
    C26B N1B . 1.346(4) ?
    N1A H1A . 0.8600 ?
    N1B H1B . 0.8600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C9A C1A O1A . . 124.3(3) ?
    C9A C1A C2A . . 122.1(3) ?
    O1A C1A C2A . . 113.6(2) ?
    C9B C1B O1B . . 123.7(3) ?
    C9B C1B C2B . . 122.3(3) ?
    O1B C1B C2B . . 114.0(3) ?
    C7A C2A C3A . . 119.1(3) ?
    C7A C2A C1A . . 117.0(3) ?
    C3A C2A C1A . . 123.9(3) ?
    C7B C2B C3B . . 119.1(3) ?
    C7B C2B C1B . . 116.5(3) ?
    C3B C2B C1B . . 124.2(3) ?
    C4A C3A C2A . . 119.2(3) ?
    C4A C3A H3A . . 120.4 ?
    C2A C3A H3A . . 120.4 ?
    C4B C3B C2B . . 119.8(3) ?
    C4B C3B H3B . . 120.1 ?
    C2B C3B H3B . . 120.1 ?
    C3A C4A C5A . . 120.7(3) ?
    C3A C4A H4A . . 119.7 ?
    C5A C4A H4A . . 119.7 ?
    C3B C4B C5B . . 120.9(3) ?
    C3B C4B H4B . . 119.5 ?
    C5B C4B H4B . . 119.5 ?
    C6A C5A C4A . . 120.8(3) ?
    C6A C5A H5A . . 119.6 ?
    C4A C5A H5A . . 119.6 ?
    C6B C5B C4B . . 120.2(3) ?
    C6B C5B H5B . . 119.9 ?
    C4B C5B H5B . . 119.9 ?
    C7A C6A C5A . . 118.3(3) ?
    C7A C6A H6A . . 120.8 ?
    C5A C6A H6A . . 120.8 ?
    C5B C6B C7B . . 118.7(3) ?
    C5B C6B H6B . . 120.7 ?
    C7B C6B H6B . . 120.7 ?
    O2A C7A C6A . . 116.7(3) ?
    O2A C7A C2A . . 121.4(3) ?
    C6A C7A C2A . . 121.9(3) ?
    O2B C7B C6B . . 116.8(3) ?
    O2B C7B C2B . . 122.0(3) ?
    C6B C7B C2B . . 121.2(3) ?
    O4A C8A O2A . . 117.6(3) ?
    O4A C8A C9A . . 124.8(3) ?
    O2A C8A C9A . . 117.6(3) ?
    O4B C8B O2B . . 118.3(3) ?
    O4B C8B C9B . . 123.6(3) ?
    O2B C8B C9B . . 118.1(3) ?
    C1A C9A C8A . . 119.6(3) ?
    C1A C9A C10A . . 123.2(3) ?
    C8A C9A C10A . . 117.2(2) ?
    C1B C9B C8B . . 119.2(3) ?
    C1B C9B C10B . . 123.3(3) ?
    C8B C9B C10B . . 117.4(3) ?
    C11A C10A C25A . . 111.9(2) ?
    C11A C10A C9A . . 107.5(2) ?
    C25A C10A C9A . . 114.5(2) ?
    C11A C10A C26A . . 111.7(2) ?
    C25A C10A C26A . . 101.2(2) ?
    C9A C10A C26A . . 109.9(2) ?
    C9B C10B C11B . . 108.4(2) ?
    C9B C10B C25B . . 111.3(2) ?
    C11B C10B C25B . . 113.7(2) ?
    C9B C10B C26B . . 111.4(2) ?
    C11B C10B C26B . . 110.9(2) ?
    C25B C10B C26B . . 101.0(2) ?
    C19A C11A C12A . . 118.5(3) ?
    C19A C11A C10A . . 124.1(3) ?
    C12A C11A C10A . . 117.4(3) ?
    C19B C11B C12B . . 118.7(3) ?
    C19B C11B C10B . . 122.8(3) ?
    C12B C11B C10B . . 118.5(3) ?
    O5A C12A O3A . . 117.9(3) ?
    O5A C12A C11A . . 124.1(3) ?
    O3A C12A C11A . . 118.0(3) ?
    O5B C12B O3B . . 116.7(3) ?
    O5B C12B C11B . . 124.6(3) ?
    O3B C12B C11B . . 118.7(3) ?
    O3A C13A C14A . . 117.2(3) ?
    O3A C13A C18A . . 121.3(3) ?
    C14A C13A C18A . . 121.5(3) ?
    O3B C13B C18B . . 121.5(3) ?
    O3B C13B C14B . . 116.9(3) ?
    C18B C13B C14B . . 121.6(3) ?
    C15A C14A C13A . . 118.8(3) ?
    C15A C14A H14A . . 120.6 ?
    C13A C14A H14A . . 120.6 ?
    C15B C14B C13B . . 118.3(3) ?
    C15B C14B H14B . . 120.8 ?
    C13B C14B H14B . . 120.8 ?
    C14A C15A C16A . . 120.9(3) ?
    C14A C15A H15A . . 119.6 ?
    C16A C15A H15A . . 119.6 ?
    C14B C15B C16B . . 121.0(3) ?
    C14B C15B H15B . . 119.5 ?
    C16B C15B H15B . . 119.5 ?
    C17A C16A C15A . . 120.1(3) ?
    C17A C16A H16A . . 119.9 ?
    C15A C16A H16A . . 119.9 ?
    C17B C16B C15B . . 120.3(3) ?
    C17B C16B H16B . . 119.9 ?
    C15B C16B H16B . . 119.9 ?
    C16A C17A C18A . . 119.8(3) ?
    C16A C17A H17A . . 120.1 ?
    C18A C17A H17A . . 120.1 ?
    C16B C17B C18B . . 119.6(3) ?
    C16B C17B H17B . . 120.2 ?
    C18B C17B H17B . . 120.2 ?
    C13A C18A C17A . . 118.8(3) ?
    C13A C18A C19A . . 116.6(3) ?
    C17A C18A C19A . . 124.5(3) ?
    C13B C18B C17B . . 119.0(3) ?
    C13B C18B C19B . . 116.5(3) ?
    C17B C18B C19B . . 124.5(3) ?
    C11A C19A O1A . . 123.5(3) ?
    C11A C19A C18A . . 122.9(3) ?
    O1A C19A C18A . . 113.6(2) ?
    C11B C19B O1B . . 123.8(3) ?
    C11B C19B C18B . . 122.8(3) ?
    O1B C19B C18B . . 113.4(3) ?
    C21A C20A N1A . . 129.0(3) ?
    C21A C20A C25A . . 121.4(3) ?
    N1A C20A C25A . . 109.6(3) ?
    C21B C20B C25B . . 121.3(3) ?
    C21B C20B N1B . . 129.0(3) ?
    C25B C20B N1B . . 109.7(3) ?
    C20A C21A C22A . . 118.4(3) ?
    C20A C21A H21A . . 120.8 ?
    C22A C21A H21A . . 120.8 ?
    C20B C21B C22B . . 117.8(4) ?
    C20B C21B H21B . . 121.1 ?
    C22B C21B H21B . . 121.1 ?
    C21A C22A C23A . . 119.9(3) ?
    C21A C22A H22A . . 120.1 ?
    C23A C22A H22A . . 120.1 ?
    C23B C22B C21B . . 120.5(3) ?
    C23B C22B H22B . . 119.8 ?
    C21B C22B H22B . . 119.8 ?
    C22A C23A C24A . . 122.1(3) ?
    C22A C23A Cl1 . . 118.7(2) ?
    C24A C23A Cl1 . . 119.1(2) ?
    C22B C23B C24B . . 122.2(3) ?
    C22B C23B Cl2 . . 119.4(3) ?
    C24B C23B Cl2 . . 118.4(3) ?
    C25A C24A C23A . . 117.8(3) ?
    C25A C24A H24A . . 121.1 ?
    C23A C24A H24A . . 121.1 ?
    C25B C24B C23B . . 116.8(3) ?
    C25B C24B H24B . . 121.6 ?
    C23B C24B H24B . . 121.6 ?
    C24A C25A C20A . . 120.4(3) ?
    C24A C25A C10A . . 130.7(3) ?
    C20A C25A C10A . . 108.8(2) ?
    C24B C25B C20B . . 121.4(3) ?
    C24B C25B C10B . . 129.6(3) ?
    C20B C25B C10B . . 108.9(3) ?
    O6A C26A N1A . . 127.4(3) ?
    O6A C26A C10A . . 125.2(3) ?
    N1A C26A C10A . . 107.5(2) ?
    O6B C26B N1B . . 127.6(3) ?
    O6B C26B C10B . . 124.3(3) ?
    N1B C26B C10B . . 108.0(2) ?
    C26A N1A C20A . . 112.9(2) ?
    C26A N1A H1A . . 123.6 ?
    C20A N1A H1A . . 123.6 ?
    C26B N1B C20B . . 112.2(3) ?
    C26B N1B H1B . . 123.9 ?
    C20B N1B H1B . . 123.9 ?
    C1A O1A C19A . . 117.0(2) ?
    C1B O1B C19B . . 117.3(2) ?
    C7A O2A C8A . . 122.3(2) ?
    C8B O2B C7B . . 121.6(2) ?
    C13A O3A C12A . . 121.9(2) ?
    C12B O3B C13B . . 121.8(2) ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C9A C1A C2A C7A . . . . -1.0(4) ?
    O1A C1A C2A C7A . . . . 178.5(2) ?
    C9A C1A C2A C3A . . . . -179.9(3) ?
    O1A C1A C2A C3A . . . . -0.4(4) ?
    C9B C1B C2B C7B . . . . 0.5(4) ?
    O1B C1B C2B C7B . . . . -178.2(2) ?
    C9B C1B C2B C3B . . . . 177.4(3) ?
    O1B C1B C2B C3B . . . . -1.3(4) ?
    C7A C2A C3A C4A . . . . -0.7(4) ?
    C1A C2A C3A C4A . . . . 178.2(3) ?
    C7B C2B C3B C4B . . . . 0.4(5) ?
    C1B C2B C3B C4B . . . . -176.4(3) ?
    C2A C3A C4A C5A . . . . 0.4(5) ?
    C2B C3B C4B C5B . . . . -0.3(5) ?
    C3A C4A C5A C6A . . . . 0.2(5) ?
    C3B C4B C5B C6B . . . . 0.0(5) ?
    C4A C5A C6A C7A . . . . -0.5(5) ?
    C4B C5B C6B C7B . . . . 0.1(5) ?
    C5A C6A C7A O2A . . . . -179.6(3) ?
    C5A C6A C7A C2A . . . . 0.2(5) ?
    C3A C2A C7A O2A . . . . -179.8(3) ?
    C1A C2A C7A O2A . . . . 1.2(4) ?
    C3A C2A C7A C6A . . . . 0.4(4) ?
    C1A C2A C7A C6A . . . . -178.6(3) ?
    C5B C6B C7B O2B . . . . 179.6(3) ?
    C5B C6B C7B C2B . . . . 0.1(5) ?
    C3B C2B C7B O2B . . . . -179.8(3) ?
    C1B C2B C7B O2B . . . . -2.7(4) ?
    C3B C2B C7B C6B . . . . -0.4(4) ?
    C1B C2B C7B C6B . . . . 176.7(3) ?
    O1A C1A C9A C8A . . . . -179.9(3) ?
    C2A C1A C9A C8A . . . . -0.5(4) ?
    O1A C1A C9A C10A . . . . -1.2(5) ?
    C2A C1A C9A C10A . . . . 178.2(3) ?
    O4A C8A C9A C1A . . . . -178.5(3) ?
    O2A C8A C9A C1A . . . . 1.7(4) ?
    O4A C8A C9A C10A . . . . 2.7(4) ?
    O2A C8A C9A C10A . . . . -177.0(2) ?
    O1B C1B C9B C8B . . . . -177.7(2) ?
    C2B C1B C9B C8B . . . . 3.8(4) ?
    O1B C1B C9B C10B . . . . 5.8(4) ?
    C2B C1B C9B C10B . . . . -172.8(3) ?
    O4B C8B C9B C1B . . . . 175.1(3) ?
    O2B C8B C9B C1B . . . . -5.9(4) ?
    O4B C8B C9B C10B . . . . -8.2(4) ?
    O2B C8B C9B C10B . . . . 170.8(2) ?
    C1A C9A C10A C11A . . . . 5.6(4) ?
    C8A C9A C10A C11A . . . . -175.7(2) ?
    C1A C9A C10A C25A . . . . -119.4(3) ?
    C8A C9A C10A C25A . . . . 59.3(3) ?
    C1A C9A C10A C26A . . . . 127.4(3) ?
    C8A C9A C10A C26A . . . . -53.9(3) ?
    C1B C9B C10B C11B . . . . -9.3(4) ?
    C8B C9B C10B C11B . . . . 174.1(2) ?
    C1B C9B C10B C25B . . . . 116.4(3) ?
    C8B C9B C10B C25B . . . . -60.2(3) ?
    C1B C9B C10B C26B . . . . -131.7(3) ?
    C8B C9B C10B C26B . . . . 51.8(3) ?
    C25A C10A C11A C19A . . . . 119.0(3) ?
    C9A C10A C11A C19A . . . . -7.6(4) ?
    C26A C10A C11A C19A . . . . -128.3(3) ?
    C25A C10A C11A C12A . . . . -59.5(3) ?
    C9A C10A C11A C12A . . . . 173.9(2) ?
    C26A C10A C11A C12A . . . . 53.2(3) ?
    C9B C10B C11B C19B . . . . 8.3(4) ?
    C25B C10B C11B C19B . . . . -116.1(3) ?
    C26B C10B C11B C19B . . . . 130.9(3) ?
    C9B C10B C11B C12B . . . . -172.2(2) ?
    C25B C10B C11B C12B . . . . 63.5(3) ?
    C26B C10B C11B C12B . . . . -49.6(3) ?
    C19A C11A C12A O5A . . . . 170.8(3) ?
    C10A C11A C12A O5A . . . . -10.6(4) ?
    C19A C11A C12A O3A . . . . -9.7(4) ?
    C10A C11A C12A O3A . . . . 168.8(3) ?
    C19B C11B C12B O5B . . . . -178.1(3) ?
    C10B C11B C12B O5B . . . . 2.3(4) ?
    C19B C11B C12B O3B . . . . 0.6(4) ?
    C10B C11B C12B O3B . . . . -179.0(2) ?
    O3A C13A C14A C15A . . . . -177.2(3) ?
    C18A C13A C14A C15A . . . . 2.1(5) ?
    O3B C13B C14B C15B . . . . -179.2(3) ?
    C18B C13B C14B C15B . . . . 0.7(5) ?
    C13A C14A C15A C16A . . . . 0.1(5) ?
    C13B C14B C15B C16B . . . . 0.6(5) ?
    C14A C15A C16A C17A . . . . -1.8(5) ?
    C14B C15B C16B C17B . . . . -1.2(5) ?
    C15A C16A C17A C18A . . . . 1.2(5) ?
    C15B C16B C17B C18B . . . . 0.5(5) ?
    O3A C13A C18A C17A . . . . 176.6(3) ?
    C14A C13A C18A C17A . . . . -2.7(5) ?
    O3A C13A C18A C19A . . . . -4.0(4) ?
    C14A C13A C18A C19A . . . . 176.8(3) ?
    C16A C17A C18A C13A . . . . 1.0(4) ?
    C16A C17A C18A C19A . . . . -178.4(3) ?
    O3B C13B C18B C17B . . . . 178.6(3) ?
    C14B C13B C18B C17B . . . . -1.4(4) ?
    O3B C13B C18B C19B . . . . -1.2(4) ?
    C14B C13B C18B C19B . . . . 178.9(3) ?
    C16B C17B C18B C13B . . . . 0.7(4) ?
    C16B C17B C18B C19B . . . . -179.6(3) ?
    C12A C11A C19A O1A . . . . -176.2(3) ?
    C10A C11A C19A O1A . . . . 5.3(5) ?
    C12A C11A C19A C18A . . . . 4.1(4) ?
    C10A C11A C19A C18A . . . . -174.4(3) ?
    C13A C18A C19A C11A . . . . 2.7(4) ?
    C17A C18A C19A C11A . . . . -177.9(3) ?
    C13A C18A C19A O1A . . . . -177.1(3) ?
    C17A C18A C19A O1A . . . . 2.4(4) ?
    C12B C11B C19B O1B . . . . 176.9(2) ?
    C10B C11B C19B O1B . . . . -3.6(4) ?
    C12B C11B C19B C18B . . . . -2.4(4) ?
    C10B C11B C19B C18B . . . . 177.2(3) ?
    C13B C18B C19B C11B . . . . 2.7(4) ?
    C17B C18B C19B C11B . . . . -177.0(3) ?
    C13B C18B C19B O1B . . . . -176.6(2) ?
    C17B C18B C19B O1B . . . . 3.6(4) ?
    N1A C20A C21A C22A . . . . -178.6(3) ?
    C25A C20A C21A C22A . . . . 0.2(4) ?
    C25B C20B C21B C22B . . . . 2.4(5) ?
    N1B C20B C21B C22B . . . . -176.6(3) ?
    C20A C21A C22A C23A . . . . -0.2(4) ?
    C20B C21B C22B C23B . . . . 0.5(5) ?
    C21A C22A C23A C24A . . . . -0.6(5) ?
    C21A C22A C23A Cl1 . . . . 179.0(2) ?
    C21B C22B C23B C24B . . . . -2.9(5) ?
    C21B C22B C23B Cl2 . . . . 176.5(3) ?
    C22A C23A C24A C25A . . . . 1.4(4) ?
    Cl1 C23A C24A C25A . . . . -178.2(2) ?
    C22B C23B C24B C25B . . . . 2.2(5) ?
    Cl2 C23B C24B C25B . . . . -177.2(2) ?
    C23A C24A C25A C20A . . . . -1.4(4) ?
    C23A C24A C25A C10A . . . . 175.3(3) ?
    C21A C20A C25A C24A . . . . 0.6(4) ?
    N1A C20A C25A C24A . . . . 179.6(3) ?
    C21A C20A C25A C10A . . . . -176.7(3) ?
    N1A C20A C25A C10A . . . . 2.3(3) ?
    C11A C10A C25A C24A . . . . -59.6(4) ?
    C9A C10A C25A C24A . . . . 63.1(4) ?
    C26A C10A C25A C24A . . . . -178.7(3) ?
    C11A C10A C25A C20A . . . . 117.4(3) ?
    C9A C10A C25A C20A . . . . -119.9(3) ?
    C26A C10A C25A C20A . . . . -1.7(3) ?
    C23B C24B C25B C20B . . . . 0.8(4) ?
    C23B C24B C25B C10B . . . . 177.1(3) ?
    C21B C20B C25B C24B . . . . -3.1(5) ?
    N1B C20B C25B C24B . . . . 176.0(3) ?
    C21B C20B C25B C10B . . . . 179.9(3) ?
    N1B C20B C25B C10B . . . . -1.0(3) ?
    C9B C10B C25B C24B . . . . -56.8(4) ?
    C11B C10B C25B C24B . . . . 65.9(4) ?
    C26B C10B C25B C24B . . . . -175.2(3) ?
    C9B C10B C25B C20B . . . . 119.8(3) ?
    C11B C10B C25B C20B . . . . -117.4(3) ?
    C26B C10B C25B C20B . . . . 1.5(3) ?
    C11A C10A C26A O6A . . . . 61.6(4) ?
    C25A C10A C26A O6A . . . . -179.2(3) ?
    C9A C10A C26A O6A . . . . -57.7(4) ?
    C11A C10A C26A N1A . . . . -118.6(3) ?
    C25A C10A C26A N1A . . . . 0.6(3) ?
    C9A C10A C26A N1A . . . . 122.1(3) ?
    C9B C10B C26B O6B . . . . 60.6(4) ?
    C11B C10B C26B O6B . . . . -60.3(4) ?
    C25B C10B C26B O6B . . . . 178.8(3) ?
    C9B C10B C26B N1B . . . . -119.8(3) ?
    C11B C10B C26B N1B . . . . 119.3(3) ?
    C25B C10B C26B N1B . . . . -1.6(3) ?
    O6A C26A N1A C20A . . . . -179.5(3) ?
    C10A C26A N1A C20A . . . . 0.7(3) ?
    C21A C20A N1A C26A . . . . 176.9(3) ?
    C25A C20A N1A C26A . . . . -1.9(4) ?
    O6B C26B N1B C20B . . . . -179.3(3) ?
    C10B C26B N1B C20B . . . . 1.1(3) ?
    C21B C20B N1B C26B . . . . 179.0(3) ?
    C25B C20B N1B C26B . . . . -0.1(4) ?
    C9A C1A O1A C19A . . . . -2.2(4) ?
    C2A C1A O1A C19A . . . . 178.3(2) ?
    C11A C19A O1A C1A . . . . 0.2(4) ?
    C18A C19A O1A C1A . . . . 179.9(2) ?
    C9B C1B O1B C19B . . . . 0.4(4) ?
    C2B C1B O1B C19B . . . . 179.0(2) ?
    C11B C19B O1B C1B . . . . -1.4(4) ?
    C18B C19B O1B C1B . . . . 177.9(2) ?
    C6A C7A O2A C8A . . . . 179.8(3) ?
    C2A C7A O2A C8A . . . . 0.0(4) ?
    O4A C8A O2A C7A . . . . 178.7(3) ?
    C9A C8A O2A C7A . . . . -1.5(4) ?
    O4B C8B O2B C7B . . . . -177.1(3) ?
    C9B C8B O2B C7B . . . . 3.8(4) ?
    C6B C7B O2B C8B . . . . -178.9(3) ?
    C2B C7B O2B C8B . . . . 0.5(4) ?
    C14A C13A O3A C12A . . . . 177.4(3) ?
    C18A C13A O3A C12A . . . . -1.9(4) ?
    O5A C12A O3A C13A . . . . -171.7(3) ?
    C11A C12A O3A C13A . . . . 8.8(4) ?
    O5B C12B O3B C13B . . . . 179.6(3) ?
    C11B C12B O3B C13B . . . . 0.8(4) ?
    C18B C13B O3B C12B . . . . -0.5(4) ?
    C14B C13B O3B C12B . . . . 179.4(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C22B H22B O4A . 0.93 2.41 3.218(4) 146
    N1A H1A O6B 3_666 0.86 2.08 2.810(3) 142
    N1B H1B O5B 3_666 0.86 2.12 2.968(3) 169
    C5A H5A O4B 2_545 0.93 2.58 3.227(4) 127
    C5B H5B O5A 4_575 0.93 2.27 3.196(4) 173
    C14B H14B O4B 4_576 0.93 2.55 3.035(4) 113
    C17A H17A O6A 3_556 0.93 2.49 3.312(4) 148
    C24A H24A Cl2 3_566 0.93 2.69 3.520(3) 149
    C4a H4a Cg1 3_566 0.93 2.95 3.832(4) 158
    C6a H6a Cg2 3_566 0.93 2.74 3.657(4) 169
    C5a H5a Cg3 2_545 0.93 2.88 3.701(3) 147
