#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/57/7205720.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_7205720
loop_
_publ_author_name
'Lee, Chin-Fen'
'Hsu, Shu-Chun'
'Chan, Kai-Chao'
'Nurnabi, Mohammad'
'Lee, Chung-Chou'
'Wu, Jing-Yun'
'Lai, Long-Li'
'Lu, Kuang-Lieh'
_publ_section_title
;
 Self-adaptation of a conformationally flexible yet restricted
 “piperazine-pyrazine” building block toward the design
 of coordination polymers
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2960
_journal_paper_doi               10.1039/c0ce00703j
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C52 H56 Cd2 N18 O11'
_chemical_formula_sum            'C52 H56 Cd2 N18 O11'
_chemical_formula_weight         1333.95
_chemical_name_systematic
;
?
;
_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                85.2730(10)
_cell_angle_beta                 73.3010(10)
_cell_angle_gamma                67.7280(10)
_cell_formula_units_Z            1
_cell_length_a                   10.3434(2)
_cell_length_b                   10.5131(2)
_cell_length_c                   13.7616(4)
_cell_measurement_reflns_used    13328
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.037
_cell_volume                     1325.82(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13140
_diffrn_reflns_theta_full        25.31
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    0.883
_exptl_absorpt_correction_T_max  0.9901
_exptl_absorpt_correction_T_min  0.6287
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
?
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.618
_refine_diff_density_min         -1.181
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0107(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         4688
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0355
_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)+(0.0711P)²+1.4927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                4310
_reflns_number_total             4688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00703j.txt
_cod_data_source_block           6169
_cod_database_code               7205720
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.08443(2) -0.08288(2) 0.291392(17) 0.02191(13) Uani 1 1 d . . .
O1 O -0.1479(3) 0.0455(3) 0.41829(19) 0.0283(5) Uani 1 1 d . . .
O2 O -0.1211(2) -0.1458(3) 0.34626(19) 0.0301(6) Uani 1 1 d . . .
O3 O 0.2215(3) -0.2803(3) 0.2085(2) 0.0406(7) Uani 1 1 d . . .
O4 O 0.3417(3) -0.1537(3) 0.1211(3) 0.0493(8) Uani 1 1 d . . .
O5 O 0.1785(3) -0.1935(3) 0.42099(19) 0.0301(6) Uani 1 1 d . . .
H5A H 0.1774 -0.1460 0.4685 0.036 Uiso 1 1 d R . .
H5B H 0.2562 -0.2648 0.4102 0.036 Uiso 1 1 d R . .
O6 O 0.5094(10) 0.0341(8) 0.0391(7) 0.077(2) Uani 0.50 1 d P . .
H6A H 0.4568 0.0352 0.0994 0.092 Uiso 0.50 1 d PR . .
H6B H 0.5597 0.0820 0.0392 0.092 Uiso 0.50 1 d PR . .
N1 N -0.0245(3) 0.0544(3) 0.1714(2) 0.0280(7) Uani 1 1 d . . .
N2 N -0.1370(4) 0.2114(4) 0.0213(3) 0.0405(8) Uani 1 1 d . . .
N3 N 0.0672(3) 0.2660(3) -0.0372(2) 0.0343(7) Uani 1 1 d . . .
N4 N 0.2374(3) 0.3783(3) -0.1938(3) 0.0347(7) Uani 1 1 d . . .
N5 N 0.2564(3) 0.5737(3) -0.2785(3) 0.0366(7) Uani 1 1 d . . .
N6 N 0.5535(3) 0.4276(3) -0.3637(3) 0.0347(7) Uani 1 1 d . . .
N7 N 0.1711(3) 0.0886(3) 0.3094(2) 0.0257(6) Uani 1 1 d . . .
N8 N 0.2725(3) 0.2926(3) 0.3290(3) 0.0383(8) Uani 1 1 d . . .
N9 N 0.0375(3) 0.4435(3) 0.4012(2) 0.0304(7) Uani 1 1 d . . .
C1 C -0.1974(3) -0.0426(3) 0.4044(3) 0.0227(7) Uani 1 1 d . . .
C2 C -0.3535(3) -0.0203(3) 0.4548(2) 0.0217(7) Uani 1 1 d . . .
C3 C -0.4477(4) 0.0991(3) 0.5117(3) 0.0269(7) Uani 1 1 d . . .
H3 H -0.4131 0.1663 0.5196 0.032 Uiso 1 1 calc R . .
C4 C -0.4079(4) -0.1191(4) 0.4434(3) 0.0274(7) Uani 1 1 d . . .
H4 H -0.3465 -0.1993 0.4052 0.033 Uiso 1 1 calc R . .
C5 C 0.3203(4) -0.2637(4) 0.1364(3) 0.0365(9) Uani 1 1 d . . .
C6 C 0.4154(4) -0.3866(4) 0.0664(3) 0.0302(8) Uani 1 1 d . . .
C7 C 0.5154(4) -0.3747(4) -0.0218(3) 0.0326(8) Uani 1 1 d . . .
H7 H 0.5269 -0.2910 -0.0366 0.039 Uiso 1 1 calc R . .
C8 C 0.4013(4) -0.5134(4) 0.0884(3) 0.0335(8) Uani 1 1 d . . .
H8 H 0.3356 -0.5229 0.1481 0.040 Uiso 1 1 calc R . .
C9 C -0.1529(4) 0.0643(5) 0.1616(3) 0.0399(9) Uani 1 1 d . . .
H9 H -0.2055 0.0174 0.2050 0.048 Uiso 1 1 calc R . .
C10 C -0.2068(5) 0.1436(6) 0.0876(4) 0.0528(13) Uani 1 1 d . . .
H10 H -0.2974 0.1504 0.0836 0.063 Uiso 1 1 calc R . .
C11 C -0.0083(4) 0.2005(4) 0.0302(3) 0.0290(8) Uani 1 1 d . . .
C12 C 0.0469(4) 0.1203(4) 0.1069(3) 0.0345(8) Uani 1 1 d . . .
H12 H 0.1369 0.1139 0.1121 0.041 Uiso 1 1 calc R . .
C13 C 0.0089(4) 0.3464(4) -0.1173(3) 0.0383(9) Uani 1 1 d . . .
H13A H -0.0952 0.3946 -0.0909 0.046 Uiso 1 1 calc R . .
H13B H 0.0259 0.2852 -0.1725 0.046 Uiso 1 1 calc R . .
C14 C 0.0800(4) 0.4485(4) -0.1564(3) 0.0396(10) Uani 1 1 d . . .
H14A H 0.0423 0.4990 -0.2109 0.047 Uiso 1 1 calc R . .
H14B H 0.0572 0.5138 -0.1024 0.047 Uiso 1 1 calc R . .
C15 C 0.3020(4) 0.2491(5) -0.1485(4) 0.0483(11) Uani 1 1 d . . .
H15A H 0.3996 0.2378 -0.1487 0.058 Uiso 1 1 calc R . .
H15B H 0.3096 0.1744 -0.1894 0.058 Uiso 1 1 calc R . .
C16 C 0.2179(5) 0.2403(6) -0.0440(4) 0.0584(15) Uani 1 1 d . . .
H16A H 0.2618 0.1495 -0.0193 0.070 Uiso 1 1 calc R . .
H16B H 0.2212 0.3069 -0.0010 0.070 Uiso 1 1 calc R . .
C17 C 0.3211(4) 0.4413(4) -0.2576(3) 0.0291(8) Uani 1 1 d . . .
C18 C 0.4704(4) 0.3699(4) -0.3033(3) 0.0299(8) Uani 1 1 d . . .
H18 H 0.5115 0.2773 -0.2899 0.036 Uiso 1 1 calc R . .
C19 C 0.4901(4) 0.5620(4) -0.3808(3) 0.0412(10) Uani 1 1 d . . .
H19 H 0.5461 0.6083 -0.4211 0.049 Uiso 1 1 calc R . .
C20 C 0.3440(4) 0.6312(4) -0.3394(4) 0.0427(10) Uani 1 1 d . . .
H20 H 0.3036 0.7232 -0.3547 0.051 Uiso 1 1 calc R . .
C21 C 0.0811(4) 0.2094(4) 0.3520(3) 0.0283(8) Uani 1 1 d . . .
H21 H -0.0177 0.2258 0.3761 0.034 Uiso 1 1 calc R . .
C22 C 0.1304(4) 0.3151(4) 0.3621(3) 0.0257(7) Uani 1 1 d . . .
C23 C 0.3601(4) 0.1694(4) 0.2862(4) 0.0442(10) Uani 1 1 d . . .
H23 H 0.4591 0.1517 0.2625 0.053 Uiso 1 1 calc R . .
C24 C 0.3138(4) 0.0676(4) 0.2749(3) 0.0355(9) Uani 1 1 d . . .
H24 H 0.3802 -0.0159 0.2435 0.043 Uiso 1 1 calc R . .
C25 C -0.1058(4) 0.4666(4) 0.4716(3) 0.0301(8) Uani 1 1 d . . .
H25A H -0.1412 0.3982 0.4585 0.036 Uiso 1 1 calc R . .
H25B H -0.1738 0.5567 0.4616 0.036 Uiso 1 1 calc R . .
C26 C 0.0964(4) 0.5429(4) 0.4196(3) 0.0315(8) Uani 1 1 d . . .
H26A H 0.0340 0.6351 0.4080 0.038 Uiso 1 1 calc R . .
H26B H 0.1923 0.5238 0.3730 0.038 Uiso 1 1 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'
Cd Cd -0.8075 1.2024 '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
O3 Cd1 O5 83.41(10) . . ?
O3 Cd1 N1 103.44(10) . . ?
O5 Cd1 N1 173.10(9) . . ?
O3 Cd1 N7 123.96(11) . . ?
O5 Cd1 N7 87.29(9) . . ?
N1 Cd1 N7 88.13(10) . . ?
O3 Cd1 O2 92.72(10) . . ?
O5 Cd1 O2 93.24(9) . . ?
N1 Cd1 O2 87.34(9) . . ?
N7 Cd1 O2 143.05(9) . . ?
O3 Cd1 O1 145.60(10) . . ?
O5 Cd1 O1 89.48(9) . . ?
N1 Cd1 O1 85.29(9) . . ?
N7 Cd1 O1 89.07(9) . . ?
O2 Cd1 O1 54.01(8) . . ?
C1 O1 Cd1 89.07(19) . . ?
C1 O2 Cd1 94.9(2) . . ?
C5 O3 Cd1 109.4(3) . . ?
Cd1 O5 H5A 119.2 . . ?
Cd1 O5 H5B 121.9 . . ?
H5A O5 H5B 107.7 . . ?
O6 O6 H6A 118.2 2_655 . ?
O6 O6 H6B 133.9 2_655 . ?
H6A O6 H6B 107.7 . . ?
C12 N1 C9 117.6(3) . . ?
C12 N1 Cd1 118.6(2) . . ?
C9 N1 Cd1 123.7(2) . . ?
C10 N2 C11 116.4(3) . . ?
C11 N3 C16 121.4(3) . . ?
C11 N3 C13 120.8(3) . . ?
C16 N3 C13 117.0(3) . . ?
C17 N4 C15 121.4(3) . . ?
C17 N4 C14 121.0(3) . . ?
C15 N4 C14 116.9(3) . . ?
C20 N5 C17 115.7(3) . . ?
C18 N6 C19 116.7(3) . . ?
C21 N7 C24 117.8(3) . . ?
C21 N7 Cd1 120.9(2) . . ?
C24 N7 Cd1 121.3(2) . . ?
C23 N8 C22 116.5(3) . . ?
C22 N9 C26 119.7(3) . . ?
C22 N9 C25 121.6(3) . . ?
C26 N9 C25 111.5(3) . . ?
O2 C1 O1 121.9(3) . . ?
O2 C1 C2 118.7(3) . . ?
O1 C1 C2 119.4(3) . . ?
C3 C2 C4 118.6(3) . . ?
C3 C2 C1 121.5(3) . . ?
C4 C2 C1 119.9(3) . . ?
C4 C3 C2 120.8(3) 2_456 . ?
C4 C3 H3 119.6 2_456 . ?
C2 C3 H3 119.6 . . ?
C3 C4 C2 120.6(3) 2_456 . ?
C3 C4 H4 119.7 2_456 . ?
C2 C4 H4 119.7 . . ?
O4 C5 O3 124.0(4) . . ?
O4 C5 C6 120.0(4) . . ?
O3 C5 C6 116.0(4) . . ?
C7 C6 C8 119.1(3) . . ?
C7 C6 C5 120.5(4) . . ?
C8 C6 C5 120.4(4) . . ?
C6 C7 C8 120.4(4) . 2_645 ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 2_645 . ?
C7 C8 C6 120.5(4) 2_645 . ?
C7 C8 H8 119.8 2_645 . ?
C6 C8 H8 119.8 . . ?
N1 C9 C10 120.0(4) . . ?
N1 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
N2 C10 C9 123.7(4) . . ?
N2 C10 H10 118.1 . . ?
C9 C10 H10 118.1 . . ?
N2 C11 N3 118.1(3) . . ?
N2 C11 C12 120.1(3) . . ?
N3 C11 C12 121.8(3) . . ?
N1 C12 C11 122.2(3) . . ?
N1 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
N3 C13 C14 110.6(3) . . ?
N3 C13 H13A 109.5 . . ?
C14 C13 H13A 109.5 . . ?
N3 C13 H13B 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
N4 C14 C13 110.4(3) . . ?
N4 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
N4 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
N4 C15 C16 112.7(4) . . ?
N4 C15 H15A 109.0 . . ?
C16 C15 H15A 109.0 . . ?
N4 C15 H15B 109.0 . . ?
C16 C15 H15B 109.0 . . ?
H15A C15 H15B 107.8 . . ?
N3 C16 C15 111.9(4) . . ?
N3 C16 H16A 109.2 . . ?
C15 C16 H16A 109.2 . . ?
N3 C16 H16B 109.2 . . ?
C15 C16 H16B 109.2 . . ?
H16A C16 H16B 107.9 . . ?
N5 C17 N4 118.2(3) . . ?
N5 C17 C18 120.2(3) . . ?
N4 C17 C18 121.6(3) . . ?
N6 C18 C17 123.1(3) . . ?
N6 C18 H18 118.5 . . ?
C17 C18 H18 118.5 . . ?
N6 C19 C20 120.7(4) . . ?
N6 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
N5 C20 C19 123.6(4) . . ?
N5 C20 H20 118.2 . . ?
C19 C20 H20 118.2 . . ?
N7 C21 C22 121.9(3) . . ?
N7 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
N8 C22 N9 117.5(3) . . ?
N8 C22 C21 119.8(3) . . ?
N9 C22 C21 122.6(3) . . ?
N8 C23 C24 124.2(4) . . ?
N8 C23 H23 117.9 . . ?
C24 C23 H23 117.9 . . ?
N7 C24 C23 119.7(3) . . ?
N7 C24 H24 120.1 . . ?
C23 C24 H24 120.1 . . ?
N9 C25 C26 110.0(3) . 2_566 ?
N9 C25 H25A 109.7 . . ?
C26 C25 H25A 109.7 2_566 . ?
N9 C25 H25B 109.7 . . ?
C26 C25 H25B 109.7 2_566 . ?
H25A C25 H25B 108.2 . . ?
N9 C26 C25 109.6(3) . 2_566 ?
N9 C26 H26A 109.8 . . ?
C25 C26 H26A 109.8 2_566 . ?
N9 C26 H26B 109.8 . . ?
C25 C26 H26B 109.8 2_566 . ?
H26A C26 H26B 108.2 . . ?
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
Cd1 O3 2.202(3) . ?
Cd1 O5 2.297(2) . ?
Cd1 N1 2.350(3) . ?
Cd1 N7 2.354(3) . ?
Cd1 O2 2.364(2) . ?
Cd1 O1 2.483(2) . ?
O1 C1 1.266(4) . ?
O2 C1 1.254(4) . ?
O3 C5 1.258(5) . ?
O4 C5 1.248(5) . ?
O5 H5A 0.8500 . ?
O5 H5B 0.8500 . ?
O6 O6 1.437(17) 2_655 ?
O6 H6A 0.8501 . ?
O6 H6B 0.8500 . ?
N1 C12 1.312(5) . ?
N1 C9 1.337(5) . ?
N2 C10 1.329(5) . ?
N2 C11 1.333(5) . ?
N3 C11 1.353(5) . ?
N3 C16 1.453(5) . ?
N3 C13 1.461(5) . ?
N4 C17 1.363(5) . ?
N4 C15 1.446(5) . ?
N4 C14 1.460(5) . ?
N5 C20 1.336(5) . ?
N5 C17 1.344(5) . ?
N6 C18 1.303(5) . ?
N6 C19 1.346(5) . ?
N7 C21 1.317(5) . ?
N7 C24 1.349(5) . ?
N8 C23 1.332(5) . ?
N8 C22 1.339(5) . ?
N9 C22 1.369(5) . ?
N9 C26 1.463(4) . ?
N9 C25 1.462(5) . ?
C1 C2 1.496(4) . ?
C2 C3 1.391(5) . ?
C2 C4 1.394(5) . ?
C3 C4 1.382(5) 2_456 ?
C3 H3 0.9300 . ?
C4 C3 1.382(5) 2_456 ?
C4 H4 0.9300 . ?
C5 C6 1.505(5) . ?
C6 C7 1.382(5) . ?
C6 C8 1.394(6) . ?
C7 C8 1.386(5) 2_645 ?
C7 H7 0.9300 . ?
C8 C7 1.386(5) 2_645 ?
C8 H8 0.9300 . ?
C9 C10 1.369(6) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C12 1.410(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.503(5) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.467(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.409(5) . ?
C18 H18 0.9300 . ?
C19 C20 1.370(6) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.418(5) . ?
C21 H21 0.9300 . ?
C23 C24 1.362(6) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.521(6) 2_566 ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C25 1.521(6) 2_566 ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
