##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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/  #
# cif/home.html                                                              #
#                                                                            #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2007-11-30
_journal_date_accepted     2007-12-02
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      1
_journal_page_first     o210
_journal_page_last     o210
_journal_paper_category     QO
_journal_coeditor_code     CI2538
loop_
    _publ_contact_author_name
    _publ_contact_author_address
    'Yun-Peng Diao'
;
School of Pharmacy
Dalian Medical University
Dalian 116044
People's Republic of China
;
    'Shan-Shan Huang'
;
School of Pharmacy
Dalian Medical University
Dalian 116044
People's Republic of China
;
_publ_contact_author_email     'diaoyiwen@126.com, dyp78@sina.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
3,4-Dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide--methanol--water
(2/1/3)
;
loop_
    _publ_author_name
    _publ_author_address
    'Hong-Bo Ma'
;
Department of Nutrition
Jilin Medical College
Jilin 132013
People's Republic of China
;
    'Shan-Shan Huang'
;
School of Pharmacy
Dalian Medical University
Dalian 116044
People's Republic of China
;
    'Yun-Peng Diao'
;
School of Pharmacy
Dalian Medical University
Dalian 116044
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
3,4-Dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide--\
methanol--water (2/1/3)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C14 H12 N2 O4, 0.5(C H4 O), 1.5(H2 O)'
_chemical_formula_sum     'C14.50 H17 N2 O6'
_chemical_formula_iupac     'C14 H12 N2 O4, 0.5C H4 O, 1.5H2 O'
_chemical_formula_weight     315.30
_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     10.707(2)
_cell_length_b     11.994(2)
_cell_length_c     14.103(3)
_cell_angle_alpha     111.56(3)
_cell_angle_beta     103.13(3)
_cell_angle_gamma     104.72(3)
_cell_volume     1522.2(8)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1027
_cell_measurement_theta_min     2.6
_cell_measurement_theta_max     24.4
_cell_measurement_temperature     298(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.17
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.376
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     664
_exptl_absorpt_coefficient_mu     0.108
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.9818
_exptl_absorpt_correction_T_max     0.9840
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     298(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 SMART CCD area-detector'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9348
_diffrn_reflns_av_R_equivalents     0.0299
_diffrn_reflns_av_sigmaI/netI     0.0680
_diffrn_reflns_theta_min     1.66
_diffrn_reflns_theta_max     26.92
_diffrn_reflns_theta_full     26.92
_diffrn_measured_fraction_theta_max     0.976
_diffrn_measured_fraction_theta_full     0.976
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     15
_diffrn_reflns_limit_l_min     -14
_diffrn_reflns_limit_l_max     17
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_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     6429
_reflns_number_gt     2812
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1424
_refine_ls_R_factor_gt     0.0554
_refine_ls_wR_factor_gt     0.1080
_refine_ls_wR_factor_ref     0.1437
_refine_ls_goodness_of_fit_ref     0.965
_refine_ls_restrained_S_all     0.964
_refine_ls_number_reflns     6429
_refine_ls_number_parameters     438
_refine_ls_number_restraints     11
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0505P)²] 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     <0.001
_refine_diff_density_max     0.171
_refine_diff_density_min     -0.208
_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'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SAINT (Bruker, 2000)'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution     'SHELXTL (Bruker, 2000)'
_computing_structure_refinement     'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics     'SHELXTL (Bruker, 2000)'
_computing_publication_material     'SHELXTL (Bruker, 2000)'
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 0.7795(2) 0.64000(17) 1.35513(13) 0.0587(6) Uani d . 1 . .
    H H1 0.7625 0.5633 1.3388 0.088 Uiso calc R 1 . .
    O O2 0.7267(2) 0.85547(16) 1.37077(14) 0.0528(5) Uani d . 1 . .
    H H2 0.7490 0.8323 1.4179 0.079 Uiso calc R 1 . .
    O O3 0.7116(2) 0.39011(18) 0.96456(14) 0.0609(6) Uani d . 1 . .
    O O4 0.6696(2) 0.19447(18) 0.67631(15) 0.0605(6) Uani d . 1 . .
    H H4 0.6723 0.2551 0.7296 0.091 Uiso calc R 1 . .
    O O5 0.6555(2) 0.13711(18) -0.10815(14) 0.0675(6) Uani d . 1 . .
    H H5 0.6701 0.2132 -0.0932 0.101 Uiso calc R 1 . .
    O O6 0.7472(2) -0.05612(18) -0.11851(15) 0.0635(6) Uani d . 1 . .
    H H6 0.7496 -0.0212 -0.1586 0.095 Uiso calc R 1 . .
    O O7 0.71818(18) 0.38404(17) 0.28249(13) 0.0490(5) Uani d . 1 . .
    O O8 0.7971(2) 0.60616(18) 0.57457(15) 0.0625(6) Uani d . 1 . .
    H H8 0.7958 0.5464 0.5214 0.094 Uiso calc R 1 . .
    O O9 0.8032(2) 0.04122(18) 0.73419(16) 0.0581(5) Uani d . 1 . .
    H H9 0.7470 0.0701 0.7128 0.087 Uiso calc R 1 . .
    O O10 0.5614(2) 0.6868(2) 0.83236(18) 0.0619(6) Uani d D 1 . .
    O O11 0.8239(2) 0.84887(19) 0.56226(15) 0.0563(6) Uani d D 1 . .
    O O12 0.9056(2) 0.11266(19) 0.42584(19) 0.0669(6) Uani d D 1 . .
    N N1 0.6301(2) 0.4906(2) 0.87321(17) 0.0401(5) Uani d D 1 . .
    N N2 0.6220(2) 0.3958(2) 0.77792(17) 0.0406(5) Uani d . 1 . .
    N N3 0.8292(2) 0.30112(19) 0.37667(17) 0.0396(5) Uani d D 1 . .
    N N4 0.8380(2) 0.39822(19) 0.47159(16) 0.0382(5) Uani d . 1 . .
    C C1 0.6883(2) 0.5837(2) 1.06912(19) 0.0370(6) Uani d . 1 . .
    C C2 0.7299(2) 0.5671(2) 1.16190(19) 0.0425(7) Uani d . 1 . .
    H H2A 0.7506 0.4945 1.1559 0.051 Uiso calc R 1 . .
    C C3 0.7415(3) 0.6543(2) 1.2623(2) 0.0404(6) Uani d . 1 . .
    C C4 0.7141(3) 0.7644(2) 1.2724(2) 0.0401(6) Uani d . 1 . .
    C C5 0.6716(3) 0.7821(2) 1.1813(2) 0.0461(7) Uani d . 1 . .
    H H5A 0.6512 0.8549 1.1877 0.055 Uiso calc R 1 . .
    C C6 0.6588(3) 0.6929(2) 1.0802(2) 0.0464(7) Uani d . 1 . .
    H H6A 0.6303 0.7063 1.0192 0.056 Uiso calc R 1 . .
    C C7 0.6776(3) 0.4813(3) 0.9654(2) 0.0418(7) Uani d . 1 . .
    C C8 0.5749(2) 0.4005(3) 0.6887(2) 0.0431(7) Uani d . 1 . .
    H H8A 0.5451 0.4669 0.6888 0.052 Uiso calc R 1 . .
    C C9 0.5675(2) 0.3036(3) 0.58771(19) 0.0399(6) Uani d . 1 . .
    C C10 0.6148(3) 0.2049(3) 0.5842(2) 0.0457(7) Uani d . 1 . .
    C C11 0.6070(3) 0.1131(3) 0.4859(2) 0.0602(9) Uani d . 1 . .
    H H11 0.6400 0.0481 0.4845 0.072 Uiso calc R 1 . .
    C C12 0.5506(3) 0.1181(3) 0.3907(3) 0.0722(11) Uani d . 1 . .
    H H12 0.5436 0.0554 0.3245 0.087 Uiso calc R 1 . .
    C C13 0.5047(3) 0.2150(4) 0.3926(2) 0.0697(10) Uani d . 1 . .
    H H13 0.4679 0.2187 0.3280 0.084 Uiso calc R 1 . .
    C C14 0.5126(3) 0.3074(3) 0.4900(2) 0.0555(8) Uani d . 1 . .
    H H14 0.4809 0.3729 0.4904 0.067 Uiso calc R 1 . .
    C C15 0.7553(3) 0.1977(2) 0.17858(19) 0.0389(6) Uani d . 1 . .
    C C16 0.7038(3) 0.2094(2) 0.0849(2) 0.0447(7) Uani d . 1 . .
    H H16 0.6703 0.2747 0.0890 0.054 Uiso calc R 1 . .
    C C17 0.7011(3) 0.1264(3) -0.0143(2) 0.0475(7) Uani d . 1 . .
    C C18 0.7470(3) 0.0272(2) -0.0213(2) 0.0481(7) Uani d . 1 . .
    C C19 0.7935(3) 0.0113(3) 0.0699(2) 0.0581(8) Uani d . 1 . .
    H H19 0.8221 -0.0571 0.0645 0.070 Uiso calc R 1 . .
    C C20 0.7984(3) 0.0957(2) 0.1699(2) 0.0517(8) Uani d . 1 . .
    H H20 0.8306 0.0843 0.2314 0.062 Uiso calc R 1 . .
    C C21 0.7657(3) 0.3000(2) 0.2826(2) 0.0385(6) Uani d . 1 . .
    C C22 0.8895(2) 0.3959(2) 0.5612(2) 0.0406(6) Uani d . 1 . .
    H H22 0.9212 0.3306 0.5616 0.049 Uiso calc R 1 . .
    C C23 0.8987(2) 0.4949(2) 0.6626(2) 0.0404(7) Uani d . 1 . .
    C C24 0.8529(3) 0.5961(3) 0.6665(2) 0.0462(7) Uani d . 1 . .
    C C25 0.8627(3) 0.6882(3) 0.7647(2) 0.0606(8) Uani d . 1 . .
    H H25 0.8320 0.7546 0.7667 0.073 Uiso calc R 1 . .
    C C26 0.9175(3) 0.6818(3) 0.8592(3) 0.0686(10) Uani d . 1 . .
    H H26 0.9241 0.7445 0.9252 0.082 Uiso calc R 1 . .
    C C27 0.9630(3) 0.5839(3) 0.8583(2) 0.0653(9) Uani d . 1 . .
    H H27 0.9999 0.5801 0.9229 0.078 Uiso calc R 1 . .
    C C28 0.9532(3) 0.4917(3) 0.7604(2) 0.0518(8) Uani d . 1 . .
    H H28 0.9839 0.4256 0.7596 0.062 Uiso calc R 1 . .
    C C29 0.9365(3) 0.1399(4) 0.7883(3) 0.1063(14) Uani d . 1 . .
    H H29A 0.9356 0.2106 0.8488 0.159 Uiso calc R 1 . .
    H H29B 0.9623 0.1696 0.7384 0.159 Uiso calc R 1 . .
    H H29C 1.0019 0.1066 0.8145 0.159 Uiso calc R 1 . .
    H H3 0.857(3) 0.238(2) 0.382(2) 0.080 Uiso d D 1 . .
    H H11B 0.799(3) 0.897(2) 0.6091(19) 0.080 Uiso d D 1 . .
    H H12B 0.852(2) 0.0381(15) 0.411(2) 0.080 Uiso d D 1 . .
    H H1A 0.608(3) 0.5579(19) 0.871(2) 0.080 Uiso d D 1 . .
    H H12A 0.9848(14) 0.110(3) 0.428(2) 0.080 Uiso d D 1 . .
    H H11A 0.806(3) 0.7774(15) 0.565(2) 0.080 Uiso d D 1 . .
    H H10A 0.613(2) 0.7585(17) 0.840(2) 0.080 Uiso d D 1 . .
    H H10B 0.4781(12) 0.677(3) 0.804(2) 0.080 Uiso d D 1 . .
_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 C3 . 1.367(3) ?
    O1 H1 . 0.82 ?
    O2 C4 . 1.365(3) ?
    O2 H2 . 0.82 ?
    O3 C7 . 1.234(3) ?
    O4 C10 . 1.363(3) ?
    O4 H4 . 0.82 ?
    O5 C17 . 1.368(3) ?
    O5 H5 . 0.82 ?
    O6 C18 . 1.368(3) ?
    O6 H6 . 0.82 ?
    O7 C21 . 1.240(3) ?
    O8 C24 . 1.361(3) ?
    O8 H8 . 0.82 ?
    O9 C29 . 1.416(3) ?
    O9 H9 . 0.82 ?
    O10 H10A . 0.846(10) ?
    O10 H10B . 0.85(2) ?
    O11 H11B . 0.85(3) ?
    O11 H11A . 0.85(2) ?
    O12 H12B . 0.85(2) ?
    O12 H12A . 0.85(2) ?
    N1 C7 . 1.341(3) ?
    N1 N2 . 1.372(3) ?
    N1 H1A . 0.91(3) ?
    N2 C8 . 1.272(3) ?
    N3 C21 . 1.340(3) ?
    N3 N4 . 1.378(3) ?
    N3 H3 . 0.90(3) ?
    N4 C22 . 1.273(3) ?
    C1 C6 . 1.387(3) ?
    C1 C2 . 1.387(3) ?
    C1 C7 . 1.481(3) ?
    C2 C3 . 1.372(3) ?
    C2 H2A . 0.93 ?
    C3 C4 . 1.388(3) ?
    C4 C5 . 1.373(3) ?
    C5 C6 . 1.383(3) ?
    C5 H5A . 0.93 ?
    C6 H6A . 0.93 ?
    C8 C9 . 1.440(3) ?
    C8 H8A . 0.93 ?
    C9 C10 . 1.390(4) ?
    C9 C14 . 1.392(3) ?
    C10 C11 . 1.386(4) ?
    C11 C12 . 1.372(4) ?
    C11 H11 . 0.93 ?
    C12 C13 . 1.365(4) ?
    C12 H12 . 0.93 ?
    C13 C14 . 1.380(4) ?
    C13 H13 . 0.93 ?
    C14 H14 . 0.93 ?
    C15 C16 . 1.384(3) ?
    C15 C20 . 1.388(3) ?
    C15 C21 . 1.484(3) ?
    C16 C17 . 1.375(3) ?
    C16 H16 . 0.93 ?
    C17 C18 . 1.378(4) ?
    C18 C19 . 1.370(4) ?
    C19 C20 . 1.381(4) ?
    C19 H19 . 0.93 ?
    C20 H20 . 0.93 ?
    C22 C23 . 1.447(3) ?
    C22 H22 . 0.93 ?
    C23 C28 . 1.388(3) ?
    C23 C24 . 1.407(4) ?
    C24 C25 . 1.379(4) ?
    C25 C26 . 1.367(4) ?
    C25 H25 . 0.93 ?
    C26 C27 . 1.379(4) ?
    C26 H26 . 0.93 ?
    C27 C28 . 1.376(4) ?
    C27 H27 . 0.93 ?
    C28 H28 . 0.93 ?
    C29 H29A . 0.96 ?
    C29 H29B . 0.96 ?
    C29 H29C . 0.96 ?
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
    C3 O1 H1 . . 109.5 ?
    C4 O2 H2 . . 109.5 ?
    C10 O4 H4 . . 109.5 ?
    C17 O5 H5 . . 109.5 ?
    C18 O6 H6 . . 109.5 ?
    C24 O8 H8 . . 109.5 ?
    C29 O9 H9 . . 109.5 ?
    H10A O10 H10B . . 108(2) ?
    H11B O11 H11A . . 107(2) ?
    H12B O12 H12A . . 108(2) ?
    C7 N1 N2 . . 117.5(2) ?
    C7 N1 H1A . . 123.7(19) ?
    N2 N1 H1A . . 118.7(19) ?
    C8 N2 N1 . . 119.1(2) ?
    C21 N3 N4 . . 117.2(2) ?
    C21 N3 H3 . . 124.4(19) ?
    N4 N3 H3 . . 118.0(18) ?
    C22 N4 N3 . . 118.1(2) ?
    C6 C1 C2 . . 118.0(2) ?
    C6 C1 C7 . . 125.4(2) ?
    C2 C1 C7 . . 116.6(2) ?
    C3 C2 C1 . . 122.0(3) ?
    C3 C2 H2A . . 119.0 ?
    C1 C2 H2A . . 119.0 ?
    O1 C3 C2 . . 123.7(2) ?
    O1 C3 C4 . . 117.0(2) ?
    C2 C3 C4 . . 119.3(2) ?
    O2 C4 C5 . . 118.8(2) ?
    O2 C4 C3 . . 121.6(2) ?
    C5 C4 C3 . . 119.6(2) ?
    C4 C5 C6 . . 120.7(3) ?
    C4 C5 H5A . . 119.7 ?
    C6 C5 H5A . . 119.7 ?
    C5 C6 C1 . . 120.4(2) ?
    C5 C6 H6A . . 119.8 ?
    C1 C6 H6A . . 119.8 ?
    O3 C7 N1 . . 121.3(2) ?
    O3 C7 C1 . . 120.6(2) ?
    N1 C7 C1 . . 118.1(2) ?
    N2 C8 C9 . . 120.3(3) ?
    N2 C8 H8A . . 119.8 ?
    C9 C8 H8A . . 119.8 ?
    C10 C9 C14 . . 118.2(3) ?
    C10 C9 C8 . . 121.8(2) ?
    C14 C9 C8 . . 120.0(3) ?
    O4 C10 C11 . . 117.7(3) ?
    O4 C10 C9 . . 121.7(2) ?
    C11 C10 C9 . . 120.6(3) ?
    C12 C11 C10 . . 120.0(3) ?
    C12 C11 H11 . . 120.0 ?
    C10 C11 H11 . . 120.0 ?
    C13 C12 C11 . . 120.2(3) ?
    C13 C12 H12 . . 119.9 ?
    C11 C12 H12 . . 119.9 ?
    C12 C13 C14 . . 120.4(3) ?
    C12 C13 H13 . . 119.8 ?
    C14 C13 H13 . . 119.8 ?
    C13 C14 C9 . . 120.6(3) ?
    C13 C14 H14 . . 119.7 ?
    C9 C14 H14 . . 119.7 ?
    C16 C15 C20 . . 118.5(2) ?
    C16 C15 C21 . . 116.7(2) ?
    C20 C15 C21 . . 124.7(2) ?
    C17 C16 C15 . . 121.4(3) ?
    C17 C16 H16 . . 119.3 ?
    C15 C16 H16 . . 119.3 ?
    O5 C17 C16 . . 123.3(3) ?
    O5 C17 C18 . . 117.2(2) ?
    C16 C17 C18 . . 119.5(3) ?
    O6 C18 C19 . . 119.2(3) ?
    O6 C18 C17 . . 120.9(2) ?
    C19 C18 C17 . . 119.9(3) ?
    C18 C19 C20 . . 120.8(3) ?
    C18 C19 H19 . . 119.6 ?
    C20 C19 H19 . . 119.6 ?
    C19 C20 C15 . . 119.9(3) ?
    C19 C20 H20 . . 120.0 ?
    C15 C20 H20 . . 120.0 ?
    O7 C21 N3 . . 120.5(2) ?
    O7 C21 C15 . . 120.6(2) ?
    N3 C21 C15 . . 118.9(2) ?
    N4 C22 C23 . . 119.9(3) ?
    N4 C22 H22 . . 120.1 ?
    C23 C22 H22 . . 120.1 ?
    C28 C23 C24 . . 117.7(3) ?
    C28 C23 C22 . . 120.0(3) ?
    C24 C23 C22 . . 122.3(2) ?
    O8 C24 C25 . . 117.9(3) ?
    O8 C24 C23 . . 121.7(2) ?
    C25 C24 C23 . . 120.4(3) ?
    C26 C25 C24 . . 120.0(3) ?
    C26 C25 H25 . . 120.0 ?
    C24 C25 H25 . . 120.0 ?
    C25 C26 C27 . . 121.0(3) ?
    C25 C26 H26 . . 119.5 ?
    C27 C26 H26 . . 119.5 ?
    C28 C27 C26 . . 119.1(3) ?
    C28 C27 H27 . . 120.4 ?
    C26 C27 H27 . . 120.4 ?
    C27 C28 C23 . . 121.7(3) ?
    C27 C28 H28 . . 119.2 ?
    C23 C28 H28 . . 119.2 ?
    O9 C29 H29A . . 109.5 ?
    O9 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    O9 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
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
    O10 H10B O7 2_666 0.85(2) 1.960(10)
                                      2.793(3) 168(3)
    O10 H10A O6 1_566 0.850(10)
                              2.100(10)
                                      2.938(3) 173(3)
    O11 H11A O8 . 0.85(2) 2.090(10)
                                  2.925(3) 170(3)
    O12 H12A O11 2_766 0.85(2) 1.940(10)
                                       2.770(3) 165(3)
    N1 H1A O10 . 0.91(3) 1.96(3) 2.844(3) 167(3)
    O12 H12B O2 1_544 0.85(2) 2.040(10)
                                      2.889(3) 177(3)
    O11 H11B O9 1_565 0.85(3) 1.95(3) 2.765(3) 162(3)
    N3 H3 O12 . 0.90(3) 1.96(3) 2.845(3) 165(3)
    O8 H8 N4 . 0.82 1.87 2.589(3) 146
    O6 H6 O9 1_554 0.82 2.04 2.834(3) 161
    O5 H5 O3 1_554 0.82 1.86 2.670(3) 170
    O4 H4 N2 . 0.82 1.84 2.561(3) 146
    O2 H2 O1 . 0.82 2.29 2.725(3) 114
    O2 H2 O11 1_556 0.82 1.93 2.703(3) 158
    O1 H1 O7 1_556 0.82 1.88 2.695(3) 172
