#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:09:55 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223717 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/32/7233239.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_7233239
loop_
_publ_author_name
'Forquin, Benjamin'
'Berthaud, Julien'
'Jouaiti, Abdelaziz'
'Kyritskas, Nathalie'
'Ferlay, Sylvie'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: enantiomerically pure chiral crystals based on
 trans-1,2-cyclohexanediol
;
_journal_issue                   34
_journal_name_full               CrystEngComm
_journal_page_first              5129
_journal_paper_doi               10.1039/C9CE00807A
_journal_volume                  21
_journal_year                    2019
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H32 Cd N2 O7'
_chemical_formula_sum            'C26 H32 Cd N2 O7'
_chemical_formula_weight         596.93
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2019-04-05 deposited with the CCDC.    2019-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.5475(6)
_cell_length_b                   28.4089(12)
_cell_length_c                   6.1616(3)
_cell_measurement_reflns_used    1500
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.
_cell_measurement_theta_min      2.5
_cell_volume                     2546.46(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.922
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.922
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            146392
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.922
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.283
_diffrn_reflns_theta_min         1.573
_exptl_absorpt_coefficient_mu    0.906
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.496
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.052
_refine_ls_abs_structure_details
;
 Flack x determined using 2881 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.012(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         7046
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0204
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0216P)²+1.0363P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0491
_reflns_Friedel_coverage         0.761
_reflns_Friedel_fraction_full    0.976
_reflns_Friedel_fraction_max     0.923
_reflns_number_gt                6842
_reflns_number_total             7046
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce00807a2.cif
_cod_data_source_block           e4527a_f
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7233236--7233242.cif.
;
_cod_database_code               7233239
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.899
_shelx_estimated_absorpt_t_max   0.915
_shelxl_version_number           2014/6
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd1 Cd 0.24771(2) 0.49708(2) 0.57858(2) 0.01420(4) Uani 1 1 d . .
O1 O 0.25141(17) 0.59095(5) 0.6052(2) 0.0279(3) Uani 1 1 d . .
O2 O 0.24620(15) 0.55098(4) 0.3005(2) 0.0223(3) Uani 1 1 d . .
C1 C 0.26237(17) 0.58898(7) 0.4061(4) 0.0176(4) Uani 1 1 d . .
C2 C 0.30142(16) 0.62947(7) 0.2829(4) 0.0185(4) Uani 1 1 d . .
C3 C 0.3166(2) 0.67311(8) 0.3789(4) 0.0300(6) Uani 1 1 d . .
H3 H 0.2952 0.6786 0.5223 0.036 Uiso 1 1 calc R U
C4 C 0.3625(2) 0.70880(8) 0.2686(5) 0.0344(6) Uani 1 1 d . .
H4 H 0.3723 0.7385 0.3361 0.041 Uiso 1 1 calc R U
C5 C 0.39371(18) 0.70074(7) 0.0601(4) 0.0242(5) Uani 1 1 d . .
C6 C 0.3766(2) 0.65803(8) -0.0392(4) 0.0303(6) Uani 1 1 d . .
H6 H 0.3969 0.6528 -0.1838 0.036 Uiso 1 1 calc R U
C7 C 0.33030(18) 0.62292(7) 0.0706(4) 0.0273(5) Uani 1 1 d . .
H7 H 0.3181 0.5939 -0.0002 0.033 Uiso 1 1 calc R U
O3 O 0.44340(15) 0.73109(6) -0.0666(3) 0.0356(5) Uani 1 1 d . .
C8 C 0.4541(2) 0.78028(7) -0.0161(4) 0.0284(6) Uani 1 1 d . .
H8 H 0.4111 0.7895 0.1033 0.034 Uiso 1 1 calc R U
C9 C 0.55215(19) 0.78990(8) 0.0504(4) 0.0252(5) Uani 1 1 d . .
H9 H 0.5950 0.7763 -0.0599 0.030 Uiso 1 1 calc R U
C10 C 0.5690(2) 0.84285(8) 0.0698(5) 0.0299(5) Uani 1 1 d . .
H10A H 0.5307 0.8558 0.1886 0.036 Uiso 1 1 calc R U
H10B H 0.6343 0.8486 0.1064 0.036 Uiso 1 1 calc R U
C11 C 0.5455(2) 0.86772(8) -0.1413(5) 0.0346(6) Uani 1 1 d . .
H11A H 0.5867 0.8563 -0.2578 0.042 Uiso 1 1 calc R U
H11B H 0.5556 0.9020 -0.1242 0.042 Uiso 1 1 calc R U
C12 C 0.4462(2) 0.85880(8) -0.2055(5) 0.0379(7) Uani 1 1 d . .
H12A H 0.4331 0.8741 -0.3465 0.045 Uiso 1 1 calc R U
H12B H 0.4045 0.8725 -0.0952 0.045 Uiso 1 1 calc R U
C13 C 0.4289(2) 0.80591(9) -0.2238(5) 0.0340(6) Uani 1 1 d . .
H13A H 0.3632 0.8004 -0.2569 0.041 Uiso 1 1 calc R U
H13B H 0.4657 0.7931 -0.3452 0.041 Uiso 1 1 calc R U
O4 O 0.57218(16) 0.77037(6) 0.2598(3) 0.0381(5) Uani 1 1 d . .
C14 C 0.6167(2) 0.72806(8) 0.2815(4) 0.0273(5) Uani 1 1 d . .
C15 C 0.6278(2) 0.69477(8) 0.1186(4) 0.0312(6) Uani 1 1 d . .
H15 H 0.6072 0.7011 -0.0248 0.037 Uiso 1 1 calc R U
C16 C 0.66956(19) 0.65197(8) 0.1680(4) 0.0256(5) Uani 1 1 d . .
H16 H 0.6777 0.6292 0.0568 0.031 Uiso 1 1 calc R U
C17 C 0.69936(17) 0.64209(7) 0.3762(4) 0.0199(4) Uani 1 1 d . .
C18 C 0.6907(2) 0.67659(8) 0.5357(4) 0.0287(6) Uani 1 1 d . .
H18 H 0.7126 0.6707 0.6783 0.034 Uiso 1 1 calc R U
C19 C 0.6504(2) 0.71942(9) 0.4875(4) 0.0330(6) Uani 1 1 d . .
H19 H 0.6458 0.7430 0.5964 0.040 Uiso 1 1 calc R U
C20 C 0.73393(16) 0.59426(7) 0.4370(4) 0.0193(5) Uani 1 1 d . .
O5 O 0.73915(15) 0.56271(5) 0.2930(3) 0.0259(4) Uani 1 1 d . .
O6 O 0.75163(18) 0.58582(5) 0.6332(2) 0.0243(3) Uani 1 1 d . .
N1 N 0.08840(12) 0.49828(7) 0.5886(3) 0.0147(3) Uani 1 1 d . .
C21 C 0.05199(16) 0.49518(9) 0.3646(3) 0.0181(4) Uani 1 1 d . .
H21A H 0.0640 0.4634 0.3050 0.022 Uiso 1 1 calc R U
H21B H 0.0835 0.5185 0.2711 0.022 Uiso 1 1 calc R U
C22 C 0.04928(18) 0.45889(8) 0.7184(5) 0.0197(5) Uani 1 1 d . .
H22A H 0.0631 0.4637 0.8742 0.024 Uiso 1 1 calc R U
H22B H 0.0774 0.4288 0.6725 0.024 Uiso 1 1 calc R U
C23 C 0.05509(18) 0.54301(8) 0.6844(5) 0.0194(5) Uani 1 1 d . .
H23A H 0.0706 0.5695 0.5866 0.023 Uiso 1 1 calc R U
H23B H 0.0860 0.5485 0.8253 0.023 Uiso 1 1 calc R U
N2 N 0.41086(12) 0.49922(7) 0.5833(3) 0.0193(4) Uani 1 1 d . .
C24 C 0.4463(2) 0.53939(10) 0.7135(6) 0.0288(6) Uani 1 1 d . .
H24A H 0.4333 0.5340 0.8692 0.035 Uiso 1 1 calc R U
H24B H 0.4151 0.5688 0.6687 0.035 Uiso 1 1 calc R U
C25 C 0.5508(2) 0.54421(10) 0.6785(5) 0.0268(6) Uani 1 1 d . .
H25A H 0.5632 0.5711 0.5805 0.032 Uiso 1 1 calc R U
H25B H 0.5811 0.5506 0.8192 0.032 Uiso 1 1 calc R U
C26 C 0.44765(17) 0.50338(13) 0.3592(4) 0.0288(6) Uani 1 1 d . .
H26A H 0.4324 0.5348 0.2997 0.035 Uiso 1 1 calc R U
H26B H 0.4187 0.4793 0.2653 0.035 Uiso 1 1 calc R U
O7 O 0.24996(14) 0.49726(5) 0.9491(2) 0.0282(3) Uani 1 1 d D .
H7A H 0.249(3) 0.5216(8) 1.034(5) 0.058 Uiso 1 1 d D U
H7B H 0.254(3) 0.4704(8) 1.010(5) 0.058 Uiso 1 1 d D U
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'
Cd Cd -0.8075 1.2024 '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
O7 Cd1 O2 138.08(5) . .
O7 Cd1 N1 89.29(7) . .
O2 Cd1 N1 90.03(7) . .
O7 Cd1 N2 88.48(7) . .
O2 Cd1 N2 90.08(7) . .
N1 Cd1 N2 176.79(5) . .
O7 Cd1 O6 81.99(5) . 2_665
O2 Cd1 O6 139.92(5) . 2_665
N1 Cd1 O6 90.86(8) . 2_665
N2 Cd1 O6 91.12(8) . 2_665
O7 Cd1 O5 135.86(5) . 2_665
O2 Cd1 O5 85.83(5) . 2_665
N1 Cd1 O5 96.16(7) . 2_665
N2 Cd1 O5 87.05(7) . 2_665
O6 Cd1 O5 54.25(5) 2_665 2_665
O7 Cd1 C20 108.53(6) . 2_665
O2 Cd1 C20 113.15(6) . 2_665
N1 Cd1 C20 96.86(7) . 2_665
N2 Cd1 C20 86.04(7) . 2_665
O6 Cd1 C20 27.20(6) 2_665 2_665
O5 Cd1 C20 27.35(6) 2_665 2_665
C1 O2 Cd1 100.42(12) . .
O1 C1 O2 121.15(19) . .
O1 C1 C2 121.25(19) . .
O2 C1 C2 117.44(19) . .
C7 C2 C3 118.2(2) . .
C7 C2 C1 119.50(18) . .
C3 C2 C1 122.1(2) . .
C4 C3 C2 121.2(2) . .
C4 C3 H3 119.4 . .
C2 C3 H3 119.4 . .
C5 C4 C3 119.4(2) . .
C5 C4 H4 120.3 . .
C3 C4 H4 120.3 . .
O3 C5 C6 113.3(2) . .
O3 C5 C4 126.8(2) . .
C6 C5 C4 119.9(2) . .
C7 C6 C5 120.3(2) . .
C7 C6 H6 119.8 . .
C5 C6 H6 119.8 . .
C6 C7 C2 120.9(2) . .
C6 C7 H7 119.6 . .
C2 C7 H7 119.6 . .
C5 O3 C8 123.0(2) . .
O3 C8 C9 109.6(2) . .
O3 C8 C13 104.9(2) . .
C9 C8 C13 111.7(2) . .
O3 C8 H8 110.2 . .
C9 C8 H8 110.2 . .
C13 C8 H8 110.2 . .
O4 C9 C8 111.5(2) . .
O4 C9 C10 106.1(2) . .
C8 C9 C10 110.5(2) . .
O4 C9 H9 109.6 . .
C8 C9 H9 109.6 . .
C10 C9 H9 109.6 . .
C11 C10 C9 110.8(2) . .
C11 C10 H10A 109.5 . .
C9 C10 H10A 109.5 . .
C11 C10 H10B 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C10 C11 C12 111.0(2) . .
C10 C11 H11A 109.4 . .
C12 C11 H11A 109.4 . .
C10 C11 H11B 109.4 . .
C12 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C11 C12 C13 109.8(2) . .
C11 C12 H12A 109.7 . .
C13 C12 H12A 109.7 . .
C11 C12 H12B 109.7 . .
C13 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C8 C13 C12 111.7(2) . .
C8 C13 H13A 109.3 . .
C12 C13 H13A 109.3 . .
C8 C13 H13B 109.3 . .
C12 C13 H13B 109.3 . .
H13A C13 H13B 107.9 . .
C14 O4 C9 121.49(19) . .
O4 C14 C19 114.3(2) . .
O4 C14 C15 125.5(2) . .
C19 C14 C15 120.1(2) . .
C14 C15 C16 119.2(2) . .
C14 C15 H15 120.4 . .
C16 C15 H15 120.4 . .
C17 C16 C15 121.1(2) . .
C17 C16 H16 119.4 . .
C15 C16 H16 119.4 . .
C16 C17 C18 118.9(2) . .
C16 C17 C20 121.5(2) . .
C18 C17 C20 119.5(2) . .
C19 C18 C17 120.4(2) . .
C19 C18 H18 119.8 . .
C17 C18 H18 119.8 . .
C18 C19 C14 120.2(2) . .
C18 C19 H19 119.9 . .
C14 C19 H19 119.9 . .
O6 C20 O5 121.80(18) . .
O6 C20 C17 118.83(19) . .
O5 C20 C17 119.2(2) . .
O6 C20 Cd1 59.73(10) . 2_665
O5 C20 Cd1 63.11(11) . 2_665
C17 C20 Cd1 165.60(17) . 2_665
C20 O5 Cd1 89.54(13) . 2_665
C20 O6 Cd1 93.07(12) . 2_665
C21 N1 C23 107.77(19) . .
C21 N1 C22 108.63(19) . .
C23 N1 C22 107.79(17) . .
C21 N1 Cd1 109.37(12) . .
C23 N1 Cd1 110.49(14) . .
C22 N1 Cd1 112.66(14) . .
N1 C21 C21 109.95(11) . 2_565
N1 C21 H21A 109.7 . .
C21 C21 H21A 109.7 2_565 .
N1 C21 H21B 109.7 . .
C21 C21 H21B 109.7 2_565 .
H21A C21 H21B 108.2 . .
N1 C22 C23 109.4(2) . 2_565
N1 C22 H22A 109.8 . .
C23 C22 H22A 109.8 2_565 .
N1 C22 H22B 109.8 . .
C23 C22 H22B 109.8 2_565 .
H22A C22 H22B 108.3 . .
N1 C23 C22 110.4(2) . 2_565
N1 C23 H23A 109.6 . .
C22 C23 H23A 109.6 2_565 .
N1 C23 H23B 109.6 . .
C22 C23 H23B 109.6 2_565 .
H23A C23 H23B 108.1 . .
C25 N2 C26 107.4(2) 2_665 .
C25 N2 C24 107.2(2) 2_665 .
C26 N2 C24 108.4(2) . .
C25 N2 Cd1 111.19(15) 2_665 .
C26 N2 Cd1 110.55(13) . .
C24 N2 Cd1 111.89(15) . .
N2 C24 C25 109.6(2) . .
N2 C24 H24A 109.8 . .
C25 C24 H24A 109.8 . .
N2 C24 H24B 109.8 . .
C25 C24 H24B 109.8 . .
H24A C24 H24B 108.2 . .
N2 C25 C24 110.7(2) 2_665 .
N2 C25 H25A 109.5 2_665 .
C24 C25 H25A 109.5 . .
N2 C25 H25B 109.5 2_665 .
C24 C25 H25B 109.5 . .
H25A C25 H25B 108.1 . .
N2 C26 C26 110.34(13) . 2_665
N2 C26 H26A 109.6 . .
C26 C26 H26A 109.6 2_665 .
N2 C26 H26B 109.6 . .
C26 C26 H26B 109.6 2_665 .
H26A C26 H26B 108.1 . .
Cd1 O7 H7A 127(2) . .
Cd1 O7 H7B 116(2) . .
H7A O7 H7B 116(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O7 2.2830(14) .
Cd1 O2 2.2981(14) .
Cd1 N1 2.3187(17) .
Cd1 N2 2.3744(18) .
Cd1 O6 2.3789(14) 2_665
Cd1 O5 2.4533(16) 2_665
Cd1 C20 2.750(2) 2_665
O1 C1 1.238(3) .
O2 C1 1.282(2) .
C1 C2 1.491(3) .
C2 C7 1.386(3) .
C2 C3 1.391(3) .
C3 C4 1.391(3) .
C3 H3 0.9500 .
C4 C5 1.382(4) .
C4 H4 0.9500 .
C5 O3 1.369(3) .
C5 C6 1.382(3) .
C6 C7 1.381(3) .
C6 H6 0.9500 .
C7 H7 0.9500 .
O3 C8 1.440(3) .
C8 C9 1.509(4) .
C8 C13 1.517(4) .
C8 H8 1.0000 .
C9 O4 1.434(3) .
C9 C10 1.529(3) .
C9 H9 1.0000 .
C10 C11 1.520(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.519(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.527(3) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
O4 C14 1.372(3) .
C14 C19 1.383(4) .
C14 C15 1.388(3) .
C15 C16 1.393(3) .
C15 H15 0.9500 .
C16 C17 1.383(3) .
C16 H16 0.9500 .
C17 C18 1.394(3) .
C17 C20 1.497(3) .
C18 C19 1.383(3) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 O6 1.259(3) .
C20 O5 1.264(3) .
C20 Cd1 2.751(2) 2_665
O5 Cd1 2.4533(16) 2_665
O6 Cd1 2.3790(14) 2_665
N1 C21 1.481(3) .
N1 C23 1.482(3) .
N1 C22 1.489(3) .
C21 C21 1.537(5) 2_565
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.534(3) 2_565
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C22 1.534(3) 2_565
C23 H23A 0.9900 .
C23 H23B 0.9900 .
N2 C25 1.476(3) 2_665
N2 C26 1.485(3) .
N2 C24 1.487(3) .
C24 C25 1.541(4) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 N2 1.476(3) 2_665
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C26 1.535(5) 2_665
C26 H26A 0.9900 .
C26 H26B 0.9900 .
O7 H7A 0.87(2) .
O7 H7B 0.85(2) .
