##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# 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 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. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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##############################################################################
                                             
data_global
_audit_creation_method     'SHELXL-97'
_journal_date_recd_electronic     2006-09-17
_journal_date_accepted     2006-09-17
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2006
_journal_volume     62
_journal_issue     10
_journal_page_first     o4583
_journal_page_last     o4584
_journal_paper_category     EO
_journal_coeditor_code     CI2173
_publ_contact_author_name     ' Lin-Hai Jing'
_publ_contact_author_address
;
Department of Chemistry
China West Normal University
Nanchong 637002
Peoples' Republic of China
;
_publ_contact_author_email     jlhhxg@yahoo.com.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
N,N'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide dimethyl
sulfoxide solvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Lin-Hai Jing' .
;
Department of Chemistry
China West Normal University
Nanchong 637002
People's Republic of China
;
    'Huan-Xia Zhang' .
;
Department of Chemistry
China West Normal University
Nanchong 637002
People's Republic of China
;
    'Shao-Jin Gu' .
;
Department of Chemistry
China West Normal University
Nanchong 637002
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
N,N'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide
dimethyl sulfoxide solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C24 H18 N2 O4, C2 H6 O S'
_chemical_formula_sum     'C26 H24 N2 O5 S'
_chemical_formula_iupac     'C24 H18 N2 O4, C2 H6 O S'
_chemical_formula_weight     476.53
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.5769(3)
_cell_length_b     9.6804(2)
_cell_length_c     13.0811(3)
_cell_angle_alpha     109.7960(10)
_cell_angle_beta     98.1570(10)
_cell_angle_gamma     91.3690(10)
_cell_volume     1126.14(5)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     9765
_cell_measurement_theta_min     3.08
_cell_measurement_theta_max     27.48
_cell_measurement_temperature     153(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.33
_exptl_crystal_size_mid     0.18
_exptl_crystal_size_min     0.16
_exptl_crystal_density_diffrn     1.405
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     500
_exptl_absorpt_coefficient_mu     0.186
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(ABSCOR; Higashi, 1995)'
_exptl_absorpt_correction_T_min     0.9411
_exptl_absorpt_correction_T_max     0.9708
_exptl_special_details
;
;
_diffrn_ambient_temperature     153(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'Rotating Anode'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku R-AXIS RAPID'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     11181
_diffrn_reflns_av_R_equivalents     0.0134
_diffrn_reflns_av_sigmaI/netI     0.0174
_diffrn_reflns_theta_min     3.08
_diffrn_reflns_theta_max     27.48
_diffrn_reflns_theta_full     27.48
_diffrn_measured_fraction_theta_max     0.991
_diffrn_measured_fraction_theta_full     0.991
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     ?
_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 > 2sigma(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     5129
_reflns_number_gt     4544
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0378
_refine_ls_R_factor_gt     0.0333
_refine_ls_wR_factor_gt     0.0915
_refine_ls_wR_factor_ref     0.0962
_refine_ls_goodness_of_fit_ref     1.006
_refine_ls_restrained_S_all     1.006
_refine_ls_number_reflns     5129
_refine_ls_number_parameters     353
_refine_ls_number_restraints     6
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
           'calc w=1/[σ²(Fo²)+(0.0566P)²+0.38P] 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     0.416
_refine_diff_density_min     -0.269
_refine_ls_extinction_method     SHELXL97
_refine_ls_extinction_coef     0.0088(17)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
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'
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'RAPID-AUTO (Rigaku, 2004)'
_computing_cell_refinement     'RAPID-AUTO'
_computing_data_reduction     'RAPID-AUTO'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'XP in SHELXTL (Bruker, 1997)'
_computing_publication_material     'SHELXL97'
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_disorder_assembly
    _atom_site_disorder_group
    O O1 -0.12933(10) 1.21450(9) 0.24539(7) 0.02411(19) Uani d . 1 . .
    O O2 -0.16442(9) 1.03100(9) 0.53205(7) 0.02150(19) Uani d . 1 . .
    O O3 0.25559(9) 0.54871(9) 0.04096(7) 0.02131(18) Uani d . 1 . .
    O O4 0.49235(9) 0.58363(9) -0.06985(7) 0.02182(18) Uani d . 1 . .
    N N1 -0.06479(10) 1.12173(10) 0.38117(8) 0.0179(2) Uani d . 1 . .
    N N2 0.20762(10) 0.62814(10) -0.10446(8) 0.0180(2) Uani d . 1 . .
    C C1 0.00655(12) 1.00242(12) 0.20498(9) 0.0165(2) Uani d . 1 . .
    C C2 -0.01920(12) 0.86020(12) 0.20009(9) 0.0192(2) Uani d . 1 . .
    H H2 -0.0836 0.8391 0.2428 0.023 Uiso calc R 1 . .
    C C3 0.04892(12) 0.74511(12) 0.13234(9) 0.0190(2) Uani d . 1 . .
    H H3 0.0296 0.6471 0.1296 0.023 Uiso calc R 1 . .
    C C4 0.14280(11) 0.77244(12) 0.07023(9) 0.0161(2) Uani d . 1 . .
    C C5 0.27524(12) 0.95615(13) 0.01514(9) 0.0208(2) Uani d . 1 . .
    H H5 0.3267 0.8809 -0.0273 0.025 Uiso calc R 1 . .
    C C6 0.30004(14) 1.09779(14) 0.01947(10) 0.0252(3) Uani d . 1 . .
    H H6 0.3671 1.1197 -0.0209 0.030 Uiso calc R 1 . .
    C C7 0.22684(14) 1.21151(13) 0.08345(11) 0.0250(3) Uani d . 1 . .
    H H7 0.2430 1.3092 0.0846 0.030 Uiso calc R 1 . .
    C C8 0.13272(12) 1.18186(12) 0.14388(10) 0.0205(2) Uani d . 1 . .
    H H8 0.0867 1.2602 0.1889 0.025 Uiso calc R 1 . .
    C C9 0.10219(11) 1.03592(12) 0.14077(9) 0.0158(2) Uani d . 1 . .
    C C10 0.17352(11) 0.91949(12) 0.07324(9) 0.0158(2) Uani d . 1 . .
    C C11 -0.06815(12) 1.12306(12) 0.27771(9) 0.0168(2) Uani d . 1 . .
    C C12 -0.12465(11) 1.22541(12) 0.46598(9) 0.0167(2) Uani d . 1 . .
    C C13 -0.13126(12) 1.37267(13) 0.47620(10) 0.0209(2) Uani d . 1 . .
    H H13 -0.0989 1.4067 0.4229 0.025 Uiso calc R 1 . .
    C C14 -0.18508(13) 1.47050(13) 0.56405(10) 0.0237(2) Uani d . 1 . .
    H H14 -0.1888 1.5712 0.5708 0.028 Uiso calc R 1 . .
    C C15 -0.23327(13) 1.42129(13) 0.64153(10) 0.0236(2) Uani d . 1 . .
    H H15 -0.2701 1.4882 0.7014 0.028 Uiso calc R 1 . .
    C C16 -0.22788(12) 1.27439(13) 0.63189(9) 0.0210(2) Uani d . 1 . .
    H H16 -0.2613 1.2409 0.6851 0.025 Uiso calc R 1 . .
    C C17 -0.17364(11) 1.17588(12) 0.54451(9) 0.0173(2) Uani d . 1 . .
    C C18 0.20933(11) 0.64073(12) 0.00130(9) 0.0167(2) Uani d . 1 . .
    C C19 0.26728(12) 0.51183(12) -0.18162(9) 0.0171(2) Uani d . 1 . .
    C C20 0.18298(13) 0.42568(12) -0.27903(10) 0.0211(2) Uani d . 1 . .
    H H20 0.0863 0.4437 -0.2930 0.025 Uiso calc R 1 . .
    C C21 0.23913(15) 0.31317(14) -0.35624(10) 0.0271(3) Uani d . 1 . .
    H H21 0.1818 0.2555 -0.4235 0.033 Uiso calc R 1 . .
    C C22 0.37961(15) 0.28611(14) -0.33406(10) 0.0295(3) Uani d . 1 . .
    H H22 0.4179 0.2076 -0.3855 0.035 Uiso calc R 1 . .
    C C23 0.46484(14) 0.37260(14) -0.23744(10) 0.0254(3) Uani d . 1 . .
    H H23 0.5608 0.3525 -0.2230 0.030 Uiso calc R 1 . .
    C C24 0.41053(12) 0.48884(12) -0.16148(9) 0.0182(2) Uani d . 1 . .
    H H1N -0.0191(17) 1.0541(18) 0.3988(13) 0.028(4) Uiso d . 1 . .
    H H2N 0.1655(17) 0.6911(18) -0.1320(13) 0.030(4) Uiso d . 1 . .
    H H2O -0.223(2) 1.005(2) 0.5715(16) 0.045(5) Uiso d . 1 . .
    H H4O 0.572(2) 0.539(2) -0.0560(17) 0.054(6) Uiso d . 1 . .
    S S -0.48221(4) 0.89011(4) 0.61960(3) 0.02848(13) Uani d PD 0.9232(16) A 1
    O O5 -0.32832(14) 0.94518(17) 0.64464(11) 0.0420(3) Uani d PD 0.9232(16) A 1
    C C25 -0.5484(3) 0.9616(3) 0.7454(2) 0.0399(4) Uani d PD 0.9232(16) A 1
    H H25A -0.4835 0.9444 0.8041 0.048 Uiso calc PR 0.9232(16) A 1
    H H25B -0.6417 0.9123 0.7382 0.048 Uiso calc PR 0.9232(16) A 1
    H H25C -0.5568 1.0676 0.7634 0.048 Uiso calc PR 0.9232(16) A 1
    C C26 -0.4817(2) 0.70388(19) 0.6120(2) 0.0497(6) Uani d PD 0.9232(16) A 1
    H H26A -0.4436 0.6458 0.5463 0.060 Uiso calc PR 0.9232(16) A 1
    H H26B -0.5787 0.6651 0.6078 0.060 Uiso calc PR 0.9232(16) A 1
    H H26C -0.4227 0.6978 0.6778 0.060 Uiso calc PR 0.9232(16) A 1
    S S' -0.4119(6) 0.8838(7) 0.6863(4) 0.0456(18) Uani d PD 0.0768(16) A 2
    O O5' -0.3889(17) 0.9537(19) 0.6027(13) 0.051(5) Uani d PD 0.0768(16) A 2
    C C25' -0.546(3) 0.978(3) 0.755(3) 0.0399(4) Uani d PD 0.0768(16) A 2
    H H25D -0.5813 0.9227 0.7983 0.048 Uiso calc PR 0.0768(16) A 2
    H H25E -0.6242 0.9871 0.7014 0.048 Uiso calc PR 0.0768(16) A 2
    H H25F -0.5076 1.0763 0.8050 0.048 Uiso calc PR 0.0768(16) A 2
    C C26' -0.512(3) 0.715(2) 0.610(2) 0.0497(6) Uani d PD 0.0768(16) A 2
    H H26D -0.5872 0.7309 0.5569 0.060 Uiso calc PR 0.0768(16) A 2
    H H26E -0.5551 0.6779 0.6607 0.060 Uiso calc PR 0.0768(16) A 2
    H H26F -0.4506 0.6432 0.5714 0.060 Uiso calc PR 0.0768(16) A 2
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    O1 C11 . 1.2303(13) ?
    O2 C17 . 1.3625(14) ?
    O2 H2O . 0.90(2) ?
    O3 C18 . 1.2351(13) ?
    O4 C24 . 1.3590(14) ?
    O4 H4O . 0.91(2) ?
    N1 C11 . 1.3536(14) ?
    N1 C12 . 1.4214(13) ?
    N1 H1N . 0.872(16) ?
    N2 C18 . 1.3447(14) ?
    N2 C19 . 1.4274(13) ?
    N2 H2N . 0.886(16) ?
    C1 C2 . 1.3711(16) ?
    C1 C9 . 1.4277(15) ?
    C1 C11 . 1.5037(14) ?
    C2 C3 . 1.4080(15) ?
    C2 H2 . 0.95 ?
    C3 C4 . 1.3711(16) ?
    C3 H3 . 0.95 ?
    C4 C10 . 1.4329(15) ?
    C4 C18 . 1.5059(14) ?
    C5 C6 . 1.3666(17) ?
    C5 C10 . 1.4243(16) ?
    C5 H5 . 0.95 ?
    C6 C7 . 1.4082(17) ?
    C6 H6 . 0.95 ?
    C7 C8 . 1.3650(17) ?
    C7 H7 . 0.95 ?
    C8 C9 . 1.4216(15) ?
    C8 H8 . 0.95 ?
    C9 C10 . 1.4321(14) ?
    C12 C13 . 1.3898(16) ?
    C12 C17 . 1.4018(16) ?
    C13 C14 . 1.3920(16) ?
    C13 H13 . 0.95 ?
    C14 C15 . 1.3844(18) ?
    C14 H14 . 0.95 ?
    C15 C16 . 1.3874(17) ?
    C15 H15 . 0.95 ?
    C16 C17 . 1.3926(15) ?
    C16 H16 . 0.95 ?
    C19 C20 . 1.3882(16) ?
    C19 C24 . 1.3974(16) ?
    C20 C21 . 1.3901(16) ?
    C20 H20 . 0.95 ?
    C21 C22 . 1.3859(19) ?
    C21 H21 . 0.95 ?
    C22 C23 . 1.3865(19) ?
    C22 H22 . 0.95 ?
    C23 C24 . 1.3933(15) ?
    C23 H23 . 0.95 ?
    S O5 . 1.5069(13) ?
    S C25 . 1.7701(19) ?
    S C26 . 1.7719(19) ?
    C25 H25A . 0.98 ?
    C25 H25B . 0.98 ?
    C25 H25C . 0.98 ?
    C26 H26A . 0.98 ?
    C26 H26B . 0.98 ?
    C26 H26C . 0.98 ?
    S' O5' . 1.505(3) ?
    S' C25' . 1.770(4) ?
    S' C26' . 1.771(4) ?
    C25' H25D . 0.98 ?
    C25' H25E . 0.98 ?
    C25' H25F . 0.98 ?
    C26' H26D . 0.98 ?
    C26' H26E . 0.98 ?
    C26' H26F . 0.98 ?
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
    C17 O2 H2O . . 109.6(12) ?
    C24 O4 H4O . . 108.0(13) ?
    C11 N1 C12 . . 125.56(9) ?
    C11 N1 H1N . . 117.8(11) ?
    C12 N1 H1N . . 116.5(11) ?
    C18 N2 C19 . . 123.74(9) ?
    C18 N2 H2N . . 121.4(10) ?
    C19 N2 H2N . . 114.8(10) ?
    C2 C1 C9 . . 120.46(10) ?
    C2 C1 C11 . . 119.43(10) ?
    C9 C1 C11 . . 120.10(9) ?
    C1 C2 C3 . . 120.58(10) ?
    C1 C2 H2 . . 119.7 ?
    C3 C2 H2 . . 119.7 ?
    C4 C3 C2 . . 120.95(10) ?
    C4 C3 H3 . . 119.5 ?
    C2 C3 H3 . . 119.5 ?
    C3 C4 C10 . . 120.38(9) ?
    C3 C4 C18 . . 116.15(9) ?
    C10 C4 C18 . . 123.47(10) ?
    C6 C5 C10 . . 121.08(10) ?
    C6 C5 H5 . . 119.5 ?
    C10 C5 H5 . . 119.5 ?
    C5 C6 C7 . . 120.43(11) ?
    C5 C6 H6 . . 119.8 ?
    C7 C6 H6 . . 119.8 ?
    C8 C7 C6 . . 120.27(11) ?
    C8 C7 H7 . . 119.9 ?
    C6 C7 H7 . . 119.9 ?
    C7 C8 C9 . . 121.23(10) ?
    C7 C8 H8 . . 119.4 ?
    C9 C8 H8 . . 119.4 ?
    C8 C9 C1 . . 122.34(10) ?
    C8 C9 C10 . . 118.54(10) ?
    C1 C9 C10 . . 119.09(9) ?
    C5 C10 C9 . . 118.36(10) ?
    C5 C10 C4 . . 123.09(10) ?
    C9 C10 C4 . . 118.51(10) ?
    O1 C11 N1 . . 122.57(10) ?
    O1 C11 C1 . . 122.73(10) ?
    N1 C11 C1 . . 114.69(9) ?
    C13 C12 C17 . . 119.43(10) ?
    C13 C12 N1 . . 123.01(10) ?
    C17 C12 N1 . . 117.51(10) ?
    C12 C13 C14 . . 120.36(11) ?
    C12 C13 H13 . . 119.8 ?
    C14 C13 H13 . . 119.8 ?
    C15 C14 C13 . . 120.08(11) ?
    C15 C14 H14 . . 120.0 ?
    C13 C14 H14 . . 120.0 ?
    C14 C15 C16 . . 120.08(10) ?
    C14 C15 H15 . . 120.0 ?
    C16 C15 H15 . . 120.0 ?
    C15 C16 C17 . . 120.22(11) ?
    C15 C16 H16 . . 119.9 ?
    C17 C16 H16 . . 119.9 ?
    O2 C17 C16 . . 122.51(10) ?
    O2 C17 C12 . . 117.66(9) ?
    C16 C17 C12 . . 119.83(10) ?
    O3 C18 N2 . . 123.76(10) ?
    O3 C18 C4 . . 120.33(10) ?
    N2 C18 C4 . . 115.83(9) ?
    C20 C19 C24 . . 120.28(10) ?
    C20 C19 N2 . . 119.31(10) ?
    C24 C19 N2 . . 120.35(10) ?
    C19 C20 C21 . . 120.42(11) ?
    C19 C20 H20 . . 119.8 ?
    C21 C20 H20 . . 119.8 ?
    C22 C21 C20 . . 119.28(12) ?
    C22 C21 H21 . . 120.4 ?
    C20 C21 H21 . . 120.4 ?
    C21 C22 C23 . . 120.62(11) ?
    C21 C22 H22 . . 119.7 ?
    C23 C22 H22 . . 119.7 ?
    C22 C23 C24 . . 120.37(11) ?
    C22 C23 H23 . . 119.8 ?
    C24 C23 H23 . . 119.8 ?
    O4 C24 C23 . . 122.55(11) ?
    O4 C24 C19 . . 118.51(10) ?
    C23 C24 C19 . . 118.91(11) ?
    O5 S C25 . . 105.92(12) ?
    O5 S C26 . . 104.86(9) ?
    C25 S C26 . . 97.75(11) ?
    O5' S' C25' . . 106.1(4) ?
    O5' S' C26' . . 105.2(4) ?
    C25' S' C26' . . 97.9(4) ?
    S' C25' H25D . . 109.5 ?
    S' C25' H25E . . 109.5 ?
    H25D C25' H25E . . 109.5 ?
    S' C25' H25F . . 109.5 ?
    H25D C25' H25F . . 109.5 ?
    H25E C25' H25F . . 109.5 ?
    S' C26' H26D . . 109.5 ?
    S' C26' H26E . . 109.5 ?
    H26D C26' H26E . . 109.5 ?
    S' C26' H26F . . 109.5 ?
    H26D C26' H26F . . 109.5 ?
    H26E C26' H26F . . 109.5 ?
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
    C9 C1 C2 C3 . . . . 0.44(17) ?
    C11 C1 C2 C3 . . . . 179.75(10) ?
    C1 C2 C3 C4 . . . . 0.31(18) ?
    C2 C3 C4 C10 . . . . 0.05(17) ?
    C2 C3 C4 C18 . . . . 179.82(10) ?
    C10 C5 C6 C7 . . . . 1.14(19) ?
    C5 C6 C7 C8 . . . . 1.5(2) ?
    C6 C7 C8 C9 . . . . -2.37(19) ?
    C7 C8 C9 C1 . . . . 178.61(11) ?
    C7 C8 C9 C10 . . . . 0.55(17) ?
    C2 C1 C9 C8 . . . . -179.56(11) ?
    C11 C1 C9 C8 . . . . 1.14(16) ?
    C2 C1 C9 C10 . . . . -1.52(16) ?
    C11 C1 C9 C10 . . . . 179.18(9) ?
    C6 C5 C10 C9 . . . . -2.89(17) ?
    C6 C5 C10 C4 . . . . 179.30(11) ?
    C8 C9 C10 C5 . . . . 2.03(15) ?
    C1 C9 C10 C5 . . . . -176.08(10) ?
    C8 C9 C10 C4 . . . . 179.94(10) ?
    C1 C9 C10 C4 . . . . 1.83(15) ?
    C3 C4 C10 C5 . . . . 176.69(11) ?
    C18 C4 C10 C5 . . . . -3.07(17) ?
    C3 C4 C10 C9 . . . . -1.12(16) ?
    C18 C4 C10 C9 . . . . 179.13(10) ?
    C12 N1 C11 O1 . . . . -2.47(18) ?
    C12 N1 C11 C1 . . . . 178.56(10) ?
    C2 C1 C11 O1 . . . . -131.02(12) ?
    C9 C1 C11 O1 . . . . 48.29(16) ?
    C2 C1 C11 N1 . . . . 47.95(15) ?
    C9 C1 C11 N1 . . . . -132.74(11) ?
    C11 N1 C12 C13 . . . . -32.88(17) ?
    C11 N1 C12 C17 . . . . 149.66(11) ?
    C17 C12 C13 C14 . . . . 0.46(17) ?
    N1 C12 C13 C14 . . . . -176.95(11) ?
    C12 C13 C14 C15 . . . . -0.41(19) ?
    C13 C14 C15 C16 . . . . 0.08(19) ?
    C14 C15 C16 C17 . . . . 0.20(18) ?
    C15 C16 C17 O2 . . . . 179.17(11) ?
    C15 C16 C17 C12 . . . . -0.14(17) ?
    C13 C12 C17 O2 . . . . -179.54(10) ?
    N1 C12 C17 O2 . . . . -1.98(15) ?
    C13 C12 C17 C16 . . . . -0.19(17) ?
    N1 C12 C17 C16 . . . . 177.37(10) ?
    C19 N2 C18 O3 . . . . -4.20(18) ?
    C19 N2 C18 C4 . . . . 179.12(10) ?
    C3 C4 C18 O3 . . . . -45.12(15) ?
    C10 C4 C18 O3 . . . . 134.65(11) ?
    C3 C4 C18 N2 . . . . 131.69(11) ?
    C10 C4 C18 N2 . . . . -48.55(15) ?
    C18 N2 C19 C20 . . . . 124.29(12) ?
    C18 N2 C19 C24 . . . . -58.38(15) ?
    C24 C19 C20 C21 . . . . 1.70(17) ?
    N2 C19 C20 C21 . . . . 179.03(10) ?
    C19 C20 C21 C22 . . . . 1.18(19) ?
    C20 C21 C22 C23 . . . . -1.8(2) ?
    C21 C22 C23 C24 . . . . -0.4(2) ?
    C22 C23 C24 O4 . . . . -174.78(11) ?
    C22 C23 C24 C19 . . . . 3.28(18) ?
    C20 C19 C24 O4 . . . . 174.23(10) ?
    N2 C19 C24 O4 . . . . -3.07(16) ?
    C20 C19 C24 C23 . . . . -3.91(17) ?
    N2 C19 C24 C23 . . . . 178.79(10) ?
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
    N1 H1N O2 2_576 0.872(16) 2.170(17) 2.9796(12) 154.0(10)
    N2 H2N O1 2_575 0.886(16) 1.985(17) 2.8010(12) 153(2)
    O2 H2O O5 . 0.90(2) 1.70(2) 2.5972(15) 176(2)
    O2 H2O O5' . 0.90(2) 1.80(2) 2.644(12) 157(2)
    O4 H4O O3 2_665 0.91(2) 1.89(2) 2.7978(12) 174(2)
    O4 H4O O4 2_665 0.91(2) 2.47(2) 2.8146(17) 103(2)
    C7 H7 O3 1_565 0.95 2.57 3.5029(14) 166
