#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/21/8102187.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8102187
loop_
_publ_author_name
'Tai, Xi-Shi'
'Yin, Jie'
'Kong, Fan-Yuan'
_publ_section_title
;
Crystal structure of 2-carboxybenzaldehyde furan-2-carbohydrazide 
methanol hemisolvate, C₁₃H₁₀N₂O₄ · 0~.~5CH₃OH
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              401
_journal_page_last               402
_journal_volume                  222
_journal_year                    2007
_chemical_formula_structural     'C13H10N2O4 &#x00B7; 0.5CH3OH'
_chemical_formula_sum            'C13.5 H12 N2 O4.5'
_chemical_formula_weight         274.25
_chemical_name_systematic
; 
2-carboxybenzaldehyde furan-2-carbohydrazide methanol hemisolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.309(3)
_cell_angle_beta                 101.878(3)
_cell_angle_gamma                92.192(2)
_cell_formula_units_Z            4
_cell_length_a                   9.1625(13)
_cell_length_b                   10.8104(19)
_cell_length_c                   14.190(2)
_cell_measurement_reflns_used    2103
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.834
_cell_measurement_theta_min      2.863
_cell_volume                     1305.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       phi/omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7356
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.9506
_exptl_absorpt_correction_T_min  0.0688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.48
_refine_diff_density_max         0.174
_refine_diff_density_min         -0.198
_refine_diff_density_rms         0.041
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5016
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0907
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0530P)²+0.3270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1038
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                2967
_reflns_number_total             5016
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2108.cff
_cod_data_source_block           070603b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        1305.7(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102187
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.6958(2) 0.58330(18) 0.04135(14) 0.0439(5) Uani 1 2 i d . . .
H1 H 0.6935 0.5166 0.0624 0.053 Uiso 1 2 i calc R . .
N2 N 0.6410(2) 0.69592(17) 0.09016(15) 0.0429(5) Uani 1 2 i d . . .
N3 N 0.9838(2) 0.58477(18) 0.40900(14) 0.0470(5) Uani 1 2 i d . . .
H3 H 0.9012 0.6203 0.4054 0.056 Uiso 1 2 i calc R . .
N4 N 0.9913(2) 0.46301(18) 0.34453(15) 0.0469(5) Uani 1 2 i d . . .
O1 O 0.8263(2) 0.36916(17) -0.03089(14) 0.0621(5) Uani 1 2 i d . . .
O2 O 0.75351(18) 0.66866(17) -0.07663(13) 0.0529(5) Uani 1 2 i d . . .
O3 O 0.6757(2) 0.67078(18) 0.35819(13) 0.0601(5) Uani 1 2 i d . . .
O4 O 0.5295(2) 0.74978(19) 0.46281(14) 0.0775(6) Uani 1 2 i d . . .
H4 H 0.5723 0.7027 0.4931 0.116 Uiso 1 2 i calc R . .
O5 O 0.9625(2) 0.82837(16) 0.53170(14) 0.0619(5) Uani 1 2 i d . . .
O6 O 1.2279(2) 0.59937(18) 0.48982(15) 0.0688(6) Uani 1 2 i d . . .
O7 O 0.60083(18) 0.38892(15) 0.13086(13) 0.0535(5) Uani 1 2 i d . . .
O8 O 0.47405(17) 0.19463(14) 0.09121(12) 0.0491(4) Uani 1 2 i d . . .
H8 H 0.4027 0.2354 0.0788 0.074 Uiso 1 2 i calc R . .
O9 O 0.3321(2) 0.36309(18) 0.41334(14) 0.0669(5) Uani 1 2 i d . . .
H9 H 0.3020 0.4312 0.4427 0.100 Uiso 1 2 i calc R . .
C1 C 0.7527(3) 0.5790(2) -0.03958(18) 0.0424(6) Uani 1 2 i d . . .
C2 C 0.8164(3) 0.4594(2) -0.08206(19) 0.0482(6) Uani 1 2 i d . . .
C3 C 0.8745(3) 0.4175(3) -0.1634(2) 0.0708(8) Uani 1 2 i d . . .
H3A H 0.8814 0.4602 -0.2106 0.085 Uiso 1 2 i calc R . .
C4 C 0.9237(4) 0.2942(3) -0.1633(3) 0.0850(11) Uani 1 2 i d . . .
H4A H 0.9692 0.2407 -0.2108 0.102 Uiso 1 2 i calc R . .
C5 C 0.8925(3) 0.2700(3) -0.0829(3) 0.0791(10) Uani 1 2 i d . . .
H5 H 0.9133 0.1955 -0.0649 0.095 Uiso 1 2 i calc R . .
C6 C 0.5879(3) 0.6897(2) 0.16502(17) 0.0414(6) Uani 1 2 i d . . .
H6 H 0.5911 0.6146 0.1842 0.050 Uiso 1 2 i calc R . .
C7 C 0.5215(2) 0.8020(2) 0.22073(16) 0.0380(5) Uani 1 2 i d . . .
C8 C 0.5033(2) 0.8182(2) 0.31917(16) 0.0388(5) Uani 1 2 i d . . .
C9 C 0.4256(3) 0.9200(2) 0.36400(18) 0.0474(6) Uani 1 2 i d . . .
H9A H 0.4081 0.9285 0.4278 0.057 Uiso 1 2 i calc R . .
C10 C 0.3746(3) 1.0079(2) 0.3150(2) 0.0507(6) Uani 1 2 i d . . .
H10 H 0.3238 1.0757 0.3459 0.061 Uiso 1 2 i calc R . .
C11 C 0.3987(3) 0.9953(2) 0.22088(19) 0.0505(6) Uani 1 2 i d . . .
H11 H 0.3678 1.0565 0.1889 0.061 Uiso 1 2 i calc R . .
C12 C 0.4687(3) 0.8919(2) 0.17317(19) 0.0471(6) Uani 1 2 i d . . .
H12 H 0.4808 0.8823 0.1080 0.057 Uiso 1 2 i calc R . .
C13 C 0.5779(3) 0.7376(2) 0.38018(18) 0.0457(6) Uani 1 2 i d . . .
C14 C 1.1097(3) 0.6473(2) 0.47824(18) 0.0470(6) Uani 1 2 i d . . .
C15 C 1.0987(3) 0.7802(2) 0.53931(18) 0.0493(6) Uani 1 2 i d . . .
C16 C 1.2047(3) 0.8719(3) 0.6052(2) 0.0669(8) Uani 1 2 i d . . .
H16 H 1.3064 0.8636 0.6237 0.080 Uiso 1 2 i calc R . .
C17 C 1.1318(4) 0.9835(3) 0.6409(2) 0.0783(9) Uani 1 2 i d . . .
H17 H 1.1763 1.0629 0.6874 0.094 Uiso 1 2 i calc R . .
C18 C 0.9883(4) 0.9533(3) 0.5955(2) 0.0740(9) Uani 1 2 i d . . .
H18 H 0.9148 1.0096 0.6057 0.089 Uiso 1 2 i calc R . .
C19 C 0.8695(3) 0.4050(2) 0.28373(18) 0.0450(6) Uani 1 2 i d . . .
H19 H 0.7817 0.4454 0.2842 0.054 Uiso 1 2 i calc R . .
C20 C 0.8671(3) 0.2742(2) 0.21265(17) 0.0417(6) Uani 1 2 i d . . .
C21 C 0.7367(3) 0.2076(2) 0.14120(16) 0.0395(5) Uani 1 2 i d . . .
C22 C 0.7376(3) 0.0794(2) 0.08256(18) 0.0471(6) Uani 1 2 i d . . .
H22 H 0.6497 0.0346 0.0376 0.056 Uiso 1 2 i calc R . .
C23 C 0.8652(3) 0.0181(2) 0.0896(2) 0.0599(7) Uani 1 2 i d . . .
H23 H 0.8647 -0.0673 0.0491 0.072 Uiso 1 2 i calc R . .
C24 C 0.9943(3) 0.0841(3) 0.1573(2) 0.0677(8) Uani 1 2 i d . . .
H24 H 1.0819 0.0433 0.1616 0.081 Uiso 1 2 i calc R . .
C25 C 0.9957(3) 0.2096(2) 0.2186(2) 0.0575(7) Uani 1 2 i d . . .
H25 H 1.0837 0.2520 0.2648 0.069 Uiso 1 2 i calc R . .
C26 C 0.5993(3) 0.2738(2) 0.12213(16) 0.0393(5) Uani 1 2 i d . . .
C27 C 0.4153(4) 0.3863(3) 0.3458(2) 0.0714(8) Uani 1 2 i d . . .
H27A H 0.4851 0.4627 0.3798 0.107 Uiso 1 2 i calc R . .
H27B H 0.3482 0.3990 0.2886 0.107 Uiso 1 2 i calc R . .
H27C H 0.4690 0.3127 0.3228 0.107 Uiso 1 2 i calc R . .
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 N1 N2 119.25(19) . . ?
C1 N1 H1 120.4 . . ?
N2 N1 H1 120.4 . . ?
C6 N2 N1 114.49(19) . . ?
C14 N3 N4 118.23(19) . . ?
C14 N3 H3 120.9 . . ?
N4 N3 H3 120.9 . . ?
C19 N4 N3 116.42(19) . . ?
C5 O1 C2 106.6(2) . . ?
C13 O4 H4 109.5 . . ?
C18 O5 C15 105.9(2) . . ?
C26 O8 H8 109.5 . . ?
C27 O9 H9 109.5 . . ?
O2 C1 N1 123.9(2) . . ?
O2 C1 C2 120.8(2) . . ?
N1 C1 C2 115.3(2) . . ?
C3 C2 O1 109.8(2) . . ?
C3 C2 C1 132.4(3) . . ?
O1 C2 C1 117.8(2) . . ?
C2 C3 C4 106.1(3) . . ?
C2 C3 H3A 126.9 . . ?
C4 C3 H3A 126.9 . . ?
C5 C4 C3 107.2(3) . . ?
C5 C4 H4A 126.4 . . ?
C3 C4 H4A 126.4 . . ?
C4 C5 O1 110.3(3) . . ?
C4 C5 H5 124.9 . . ?
O1 C5 H5 124.9 . . ?
N2 C6 C7 119.5(2) . . ?
N2 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C12 C7 C8 118.8(2) . . ?
C12 C7 C6 119.3(2) . . ?
C8 C7 C6 121.9(2) . . ?
C9 C8 C7 119.0(2) . . ?
C9 C8 C13 119.6(2) . . ?
C7 C8 C13 121.2(2) . . ?
C10 C9 C8 120.9(2) . . ?
C10 C9 H9A 119.5 . . ?
C8 C9 H9A 119.5 . . ?
C11 C10 C9 119.8(2) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C12 120.2(2) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 121.2(2) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
O3 C13 O4 122.8(2) . . ?
O3 C13 C8 124.2(2) . . ?
O4 C13 C8 113.0(2) . . ?
O6 C14 N3 123.7(2) . . ?
O6 C14 C15 120.3(2) . . ?
N3 C14 C15 116.0(2) . . ?
C16 C15 O5 109.8(2) . . ?
C16 C15 C14 130.7(2) . . ?
O5 C15 C14 119.5(2) . . ?
C15 C16 C17 106.7(3) . . ?
C15 C16 H16 126.7 . . ?
C17 C16 H16 126.7 . . ?
C18 C17 C16 106.8(3) . . ?
C18 C17 H17 126.6 . . ?
C16 C17 H17 126.6 . . ?
C17 C18 O5 110.9(3) . . ?
C17 C18 H18 124.6 . . ?
O5 C18 H18 124.6 . . ?
N4 C19 C20 120.1(2) . . ?
N4 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C25 C20 C21 117.9(2) . . ?
C25 C20 C19 119.6(2) . . ?
C21 C20 C19 122.5(2) . . ?
C22 C21 C20 119.8(2) . . ?
C22 C21 C26 118.7(2) . . ?
C20 C21 C26 121.38(19) . . ?
C23 C22 C21 121.3(2) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 119.2(2) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C23 C24 C25 120.9(2) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C20 120.9(2) . . ?
C24 C25 H25 119.5 . . ?
C20 C25 H25 119.5 . . ?
O7 C26 O8 122.4(2) . . ?
O7 C26 C21 123.9(2) . . ?
O8 C26 C21 113.69(19) . . ?
O9 C27 H27A 109.5 . . ?
O9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
O9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
N1 C1 1.345(3) . ?
N1 N2 1.379(2) . ?
N1 H1 0.8600 . ?
N2 C6 1.274(3) . ?
N3 C14 1.354(3) . ?
N3 N4 1.375(3) . ?
N3 H3 0.8600 . ?
N4 C19 1.269(3) . ?
O1 C5 1.351(3) . ?
O1 C2 1.374(3) . ?
O2 C1 1.233(3) . ?
O3 C13 1.205(3) . ?
O4 C13 1.310(3) . ?
O4 H4 0.8200 . ?
O5 C18 1.363(3) . ?
O5 C15 1.367(3) . ?
O6 C14 1.220(3) . ?
O7 C26 1.213(2) . ?
O8 C26 1.318(3) . ?
O8 H8 0.8200 . ?
O9 C27 1.411(3) . ?
O9 H9 0.8200 . ?
C1 C2 1.454(3) . ?
C2 C3 1.334(3) . ?
C3 C4 1.423(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.326(5) . ?
C4 H4A 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.467(3) . ?
C6 H6 0.9300 . ?
C7 C12 1.388(3) . ?
C7 C8 1.401(3) . ?
C8 C9 1.397(3) . ?
C8 C13 1.492(3) . ?
C9 C10 1.378(3) . ?
C9 H9A 0.9300 . ?
C10 C11 1.366(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C14 C15 1.460(3) . ?
C15 C16 1.342(3) . ?
C16 C17 1.412(4) . ?
C16 H16 0.9300 . ?
C17 C18 1.320(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.469(3) . ?
C19 H19 0.9300 . ?
C20 C25 1.393(3) . ?
C20 C21 1.405(3) . ?
C21 C22 1.389(3) . ?
C21 C26 1.488(3) . ?
C22 C23 1.367(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.375(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(3) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C6 179.2(2) . . . . ?
C14 N3 N4 C19 177.0(2) . . . . ?
N2 N1 C1 O2 -3.3(3) . . . . ?
N2 N1 C1 C2 176.23(19) . . . . ?
C5 O1 C2 C3 0.1(3) . . . . ?
C5 O1 C2 C1 -178.1(2) . . . . ?
O2 C1 C2 C3 -4.5(4) . . . . ?
N1 C1 C2 C3 175.9(3) . . . . ?
O2 C1 C2 O1 173.3(2) . . . . ?
N1 C1 C2 O1 -6.3(3) . . . . ?
O1 C2 C3 C4 -0.1(3) . . . . ?
C1 C2 C3 C4 177.8(3) . . . . ?
C2 C3 C4 C5 0.0(4) . . . . ?
C3 C4 C5 O1 0.1(4) . . . . ?
C2 O1 C5 C4 -0.1(3) . . . . ?
N1 N2 C6 C7 -177.86(19) . . . . ?
N2 C6 C7 C12 22.8(3) . . . . ?
N2 C6 C7 C8 -160.2(2) . . . . ?
C12 C7 C8 C9 3.5(3) . . . . ?
C6 C7 C8 C9 -173.5(2) . . . . ?
C12 C7 C8 C13 -170.4(2) . . . . ?
C6 C7 C8 C13 12.6(3) . . . . ?
C7 C8 C9 C10 -3.6(3) . . . . ?
C13 C8 C9 C10 170.4(2) . . . . ?
C8 C9 C10 C11 0.6(4) . . . . ?
C9 C10 C11 C12 2.5(4) . . . . ?
C10 C11 C12 C7 -2.7(4) . . . . ?
C8 C7 C12 C11 -0.4(3) . . . . ?
C6 C7 C12 C11 176.7(2) . . . . ?
C9 C8 C13 O3 -161.1(2) . . . . ?
C7 C8 C13 O3 12.8(4) . . . . ?
C9 C8 C13 O4 16.9(3) . . . . ?
C7 C8 C13 O4 -169.3(2) . . . . ?
N4 N3 C14 O6 -3.4(4) . . . . ?
N4 N3 C14 C15 175.3(2) . . . . ?
C18 O5 C15 C16 -0.1(3) . . . . ?
C18 O5 C15 C14 -179.0(2) . . . . ?
O6 C14 C15 C16 7.0(5) . . . . ?
N3 C14 C15 C16 -171.8(3) . . . . ?
O6 C14 C15 O5 -174.3(2) . . . . ?
N3 C14 C15 O5 6.9(3) . . . . ?
O5 C15 C16 C17 0.0(3) . . . . ?
C14 C15 C16 C17 178.8(3) . . . . ?
C15 C16 C17 C18 0.1(4) . . . . ?
C16 C17 C18 O5 -0.2(4) . . . . ?
C15 O5 C18 C17 0.2(3) . . . . ?
N3 N4 C19 C20 -179.6(2) . . . . ?
N4 C19 C20 C25 5.8(4) . . . . ?
N4 C19 C20 C21 -177.6(2) . . . . ?
C25 C20 C21 C22 2.7(3) . . . . ?
C19 C20 C21 C22 -173.9(2) . . . . ?
C25 C20 C21 C26 -173.4(2) . . . . ?
C19 C20 C21 C26 9.9(3) . . . . ?
C20 C21 C22 C23 -3.0(4) . . . . ?
C26 C21 C22 C23 173.3(2) . . . . ?
C21 C22 C23 C24 1.0(4) . . . . ?
C22 C23 C24 C25 1.0(5) . . . . ?
C23 C24 C25 C20 -1.2(5) . . . . ?
C21 C20 C25 C24 -0.7(4) . . . . ?
C19 C20 C25 C24 176.0(3) . . . . ?
C22 C21 C26 O7 -145.8(2) . . . . ?
C20 C21 C26 O7 30.5(3) . . . . ?
C22 C21 C26 O8 32.1(3) . . . . ?
C20 C21 C26 O8 -151.7(2) . . . . ?
