#------------------------------------------------------------------------------
#$Date: 2021-04-26 09:52:48 +0200 (Mon 26 de Apr de 2021) $
#$Revision: 264528 $
#$URL: svn://www.crystallography.net/cod/cif/1/56/20/1562083.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_1562083
loop_
_publ_author_name
'Rachuri, Yadagiri'
'Bisht, Kamal Kumar'
'Parmar, Bhavesh'
'Suresh, Eringathodi'
_publ_section_title
;
 Luminescent MOFs comprising mixed tritopic linkers and Cd(II)/Zn(II)
 nodes for selective detection of organic nitro compounds and iodine
 capture
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              23
_journal_page_last               31
_journal_paper_doi               10.1016/j.jssc.2014.05.012
_journal_volume                  223
_journal_year                    2015
_chemical_formula_sum            'C54 H54 Cd3 N12 O18'
_chemical_formula_weight         1496.29
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                95.523(8)
_cell_angle_beta                 102.341(8)
_cell_angle_gamma                102.103(8)
_cell_formula_units_Z            1
_cell_length_a                   8.644(4)
_cell_length_b                   10.479(5)
_cell_length_c                   16.369(8)
_cell_measurement_reflns_used    2067
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.34
_cell_measurement_theta_min      2.68
_cell_volume                     1400.7(12)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    ORTEP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'BRUKER SMART APEX CCD DIFFARCTOMETER'
_diffrn_measurement_method       'OMEGA-PHI SCAN'
_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  0.0616
_diffrn_reflns_av_sigmaI/netI    0.1133
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11664
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  0.9761
_exptl_absorpt_correction_T_min  0.8020
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            COLOURLESS'
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATES
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.395
_refine_diff_density_min         -1.425
_refine_diff_density_rms         0.179
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         6146
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0925
_refine_ls_R_factor_gt           0.0564
_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)+(0.0555P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1123
_refine_ls_wR_factor_ref         0.1322
_reflns_number_gt                4257
_reflns_number_total             6146
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-223-23.cif
_cod_data_source_block           ycp135m
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'TRICLINIC' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        1400.8(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562083
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 0.5000 0.5000 -0.5000 0.01696(17) Uani 1 2 d S . .
Cd2 Cd 0.43735(5) 0.35469(4) 0.10956(3) 0.01207(13) Uani 1 1 d . . .
O1 O 0.4833(5) 0.2672(4) -0.0134(3) 0.0183(10) Uani 1 1 d . . .
O2 O 0.5974(5) 0.4472(4) -0.0608(3) 0.0190(10) Uani 1 1 d . . .
O3 O 0.5352(5) 0.3981(4) -0.3765(3) 0.0210(10) Uani 1 1 d . . .
O4 O 0.5274(6) 0.2018(4) -0.4436(3) 0.0318(12) Uani 1 1 d . . .
O5 O 0.5510(6) -0.1748(4) -0.2867(3) 0.0319(12) Uani 1 1 d . . .
O6 O 0.5508(5) -0.1507(4) -0.1510(3) 0.0208(10) Uani 1 1 d . . .
O7 O 0.3606(6) 0.3941(4) 0.2428(3) 0.0245(11) Uani 1 1 d D . .
O8 O 0.3912(5) 0.6628(4) -0.4373(3) 0.0232(11) Uani 1 1 d D . .
O9 O 0.2865(7) 0.9690(6) 0.4818(4) 0.0572(17) Uani 1 1 d D . .
N1 N 0.6953(6) 0.4519(5) 0.1733(3) 0.0203(12) Uani 1 1 d . . .
N2 N 0.9322(6) 0.5914(5) 0.1975(4) 0.0220(13) Uani 1 1 d . . .
N3 N 1.2497(6) 1.3646(5) 0.4574(4) 0.0230(13) Uani 1 1 d . . .
N4 N 1.0473(7) 1.1893(5) 0.4220(4) 0.0251(13) Uani 1 1 d . . .
N5 N 1.1641(6) 1.2861(5) 0.0680(3) 0.0146(11) Uani 1 1 d . . .
N6 N 0.9222(6) 1.1715(5) 0.0695(4) 0.0212(12) Uani 1 1 d . . .
C1 C 0.5363(7) 0.3262(6) -0.0681(4) 0.0131(12) Uani 1 1 d . . .
C2 C 0.5287(6) 0.2428(5) -0.1502(4) 0.0100(12) Uani 1 1 d . . .
C3 C 0.5208(7) 0.2931(5) -0.2256(4) 0.0128(12) Uani 1 1 d . . .
H3 H 0.5131 0.3801 -0.2272 0.015 Uiso 1 1 calc R . .
C4 C 0.5241(7) 0.2170(6) -0.2986(4) 0.0163(13) Uani 1 1 d . . .
C5 C 0.5320(7) 0.0874(5) -0.2959(4) 0.0113(12) Uani 1 1 d . . .
H5 H 0.5330 0.0350 -0.3449 0.014 Uiso 1 1 calc R . .
C6 C 0.5385(7) 0.0335(5) -0.2212(4) 0.0120(12) Uani 1 1 d . . .
C7 C 0.5372(7) 0.1108(5) -0.1490(4) 0.0142(13) Uani 1 1 d . . .
H7 H 0.5421 0.0754 -0.0988 0.017 Uiso 1 1 calc R . .
C8 C 0.5273(8) 0.2769(6) -0.3791(4) 0.0210(14) Uani 1 1 d . . .
C9 C 0.5469(7) -0.1091(6) -0.2204(4) 0.0168(14) Uani 1 1 d . . .
C10 C 0.7934(9) 0.4333(7) 0.2471(5) 0.0316(17) Uani 1 1 d . . .
H10 H 0.7632 0.3710 0.2811 0.038 Uiso 1 1 calc R . .
C11 C 0.9386(8) 0.5181(7) 0.2624(5) 0.0357(19) Uani 1 1 d . . .
H11 H 1.0266 0.5258 0.3081 0.043 Uiso 1 1 calc R . .
C12 C 0.7835(7) 0.5481(6) 0.1466(4) 0.0191(14) Uani 1 1 d . . .
H12 H 0.7470 0.5827 0.0978 0.023 Uiso 1 1 calc R . .
C13 C 1.0544(7) 0.7079(6) 0.1906(4) 0.0231(15) Uani 1 1 d . . .
H13A H 1.0731 0.7004 0.1342 0.028 Uiso 1 1 calc R . .
H13B H 1.1566 0.7122 0.2306 0.028 Uiso 1 1 calc R . .
C14 C 0.9986(7) 0.8320(6) 0.2082(4) 0.0222(15) Uani 1 1 d . . .
C15 C 0.9235(7) 0.8870(6) 0.1420(4) 0.0243(15) Uani 1 1 d . . .
H15 H 0.9121 0.8479 0.0869 0.029 Uiso 1 1 calc R . .
C16 C 0.8649(7) 0.9982(6) 0.1551(5) 0.0244(16) Uani 1 1 d . . .
C17 C 0.8782(8) 1.0535(6) 0.2364(5) 0.0248(16) Uani 1 1 d . . .
H17 H 0.8383 1.1280 0.2461 0.030 Uiso 1 1 calc R . .
C18 C 0.9514(8) 0.9988(7) 0.3049(5) 0.0248(16) Uani 1 1 d . . .
C19 C 1.0126(8) 0.8886(7) 0.2891(5) 0.0276(16) Uani 1 1 d . . .
H19 H 1.0637 0.8529 0.3343 0.033 Uiso 1 1 calc R . .
C20 C 0.9579(10) 1.0510(7) 0.3939(5) 0.039(2) Uani 1 1 d . . .
H20A H 0.8472 1.0422 0.4001 0.047 Uiso 1 1 calc R . .
H20B H 1.0083 0.9966 0.4310 0.047 Uiso 1 1 calc R . .
C21 C 0.9974(9) 1.2803(8) 0.4674(6) 0.054(3) Uani 1 1 d . . .
H21 H 0.8969 1.2710 0.4810 0.065 Uiso 1 1 calc R . .
C22 C 1.1236(9) 1.3877(8) 0.4891(6) 0.053(3) Uani 1 1 d . . .
H22 H 1.1241 1.4661 0.5211 0.064 Uiso 1 1 calc R . .
C23 C 1.1975(8) 1.2432(7) 0.4171(4) 0.0241(15) Uani 1 1 d . . .
H23 H 1.2587 1.2003 0.3886 0.029 Uiso 1 1 calc R . .
C24 C 0.7949(8) 1.0633(7) 0.0838(5) 0.0289(17) Uani 1 1 d . . .
H24A H 0.7516 0.9991 0.0329 0.035 Uiso 1 1 calc R . .
H24B H 0.7062 1.0983 0.0968 0.035 Uiso 1 1 calc R . .
C25 C 0.9035(8) 1.2914(6) 0.0501(5) 0.0264(16) Uani 1 1 d . . .
H25 H 0.8071 1.3198 0.0389 0.032 Uiso 1 1 calc R . .
C26 C 1.0553(8) 1.3614(7) 0.0503(5) 0.0261(16) Uani 1 1 d . . .
H26 H 1.0804 1.4481 0.0399 0.031 Uiso 1 1 calc R . .
C27 C 1.0797(7) 1.1729(6) 0.0805(4) 0.0213(15) Uani 1 1 d . . .
H27 H 1.1244 1.1026 0.0952 0.026 Uiso 1 1 calc R . .
H8C H 0.417(8) 0.716(5) -0.478(3) 0.03(2) Uiso 1 1 d D . .
H8D H 0.409(8) 0.720(5) -0.386(2) 0.04(2) Uiso 1 1 d D . .
H7D H 0.375(8) 0.463(4) 0.287(3) 0.03(2) Uiso 1 1 d D . .
H7C H 0.383(11) 0.319(4) 0.265(4) 0.08(3) Uiso 1 1 d D . .
H9C H 0.348(7) 0.913(5) 0.460(5) 0.050 Uiso 1 1 d D . .
H9D H 0.367(6) 1.047(4) 0.513(4) 0.050 Uiso 1 1 d D . .
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
N3 Cd1 N3 179.999(1) 1_444 2_775
N3 Cd1 O8 90.20(17) 1_444 .
N3 Cd1 O8 89.80(18) 2_775 .
N3 Cd1 O8 89.80(17) 1_444 2_664
N3 Cd1 O8 90.20(17) 2_775 2_664
O8 Cd1 O8 180.00(14) . 2_664
N3 Cd1 O3 92.55(18) 1_444 2_664
N3 Cd1 O3 87.45(18) 2_775 2_664
O8 Cd1 O3 87.54(16) . 2_664
O8 Cd1 O3 92.46(16) 2_664 2_664
N3 Cd1 O3 87.45(18) 1_444 .
N3 Cd1 O3 92.55(18) 2_775 .
O8 Cd1 O3 92.46(16) . .
O8 Cd1 O3 87.54(16) 2_664 .
O3 Cd1 O3 179.999(1) 2_664 .
N1 Cd2 N5 167.05(18) . 1_445
N1 Cd2 O1 97.30(17) . .
N5 Cd2 O1 95.16(16) 1_445 .
N1 Cd2 O6 95.14(17) . 2_655
N5 Cd2 O6 89.42(16) 1_445 2_655
O1 Cd2 O6 84.95(15) . 2_655
N1 Cd2 O2 89.73(17) . 2_665
N5 Cd2 O2 85.90(16) 1_445 2_665
O1 Cd2 O2 94.04(15) . 2_665
O6 Cd2 O2 175.11(15) 2_655 2_665
N1 Cd2 O7 89.80(18) . .
N5 Cd2 O7 78.71(17) 1_445 .
O1 Cd2 O7 166.47(14) . .
O6 Cd2 O7 82.95(15) 2_655 .
O2 Cd2 O7 97.51(15) 2_665 .
C1 O1 Cd2 128.4(4) . .
C1 O2 Cd2 144.8(4) . 2_665
C8 O3 Cd1 122.4(4) . .
C9 O6 Cd2 132.6(4) . 2_655
Cd2 O7 H7D 140(4) . .
Cd2 O7 H7C 98(5) . .
H7D O7 H7C 111(3) . .
Cd1 O8 H8C 89(4) . .
Cd1 O8 H8D 141(4) . .
H8C O8 H8D 107(3) . .
H9C O9 H9D 105(3) . .
C12 N1 C10 105.2(5) . .
C12 N1 Cd2 124.0(4) . .
C10 N1 Cd2 130.8(4) . .
C12 N2 C11 106.7(5) . .
C12 N2 C13 125.6(6) . .
C11 N2 C13 127.2(6) . .
C23 N3 C22 104.6(6) . .
C23 N3 Cd1 132.1(4) . 1_666
C22 N3 Cd1 121.7(5) . 1_666
C23 N4 C21 107.4(6) . .
C23 N4 C20 127.0(6) . .
C21 N4 C20 125.1(6) . .
C27 N5 C26 105.4(5) . .
C27 N5 Cd2 124.4(4) . 1_665
C26 N5 Cd2 127.4(4) . 1_665
C27 N6 C25 107.3(5) . .
C27 N6 C24 125.8(6) . .
C25 N6 C24 126.6(5) . .
O1 C1 O2 126.2(6) . .
O1 C1 C2 116.7(5) . .
O2 C1 C2 117.1(5) . .
C3 C2 C7 118.7(5) . .
C3 C2 C1 122.6(5) . .
C7 C2 C1 118.6(5) . .
C4 C3 C2 121.4(5) . .
C4 C3 H3 119.3 . .
C2 C3 H3 119.3 . .
C5 C4 C3 118.8(6) . .
C5 C4 C8 120.6(5) . .
C3 C4 C8 120.5(5) . .
C4 C5 C6 121.2(5) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C7 C6 C5 119.4(5) . .
C7 C6 C9 120.8(5) . .
C5 C6 C9 119.9(5) . .
C6 C7 C2 120.5(6) . .
C6 C7 H7 119.7 . .
C2 C7 H7 119.7 . .
O3 C8 O4 124.3(6) . .
O3 C8 C4 118.4(6) . .
O4 C8 C4 117.3(5) . .
O5 C9 O6 125.2(5) . .
O5 C9 C6 118.7(6) . .
O6 C9 C6 116.1(5) . .
C11 C10 N1 109.7(6) . .
C11 C10 H10 125.2 . .
N1 C10 H10 125.2 . .
C10 C11 N2 106.4(6) . .
C10 C11 H11 126.8 . .
N2 C11 H11 126.8 . .
N1 C12 N2 112.1(6) . .
N1 C12 H12 124.0 . .
N2 C12 H12 124.0 . .
N2 C13 C14 110.8(5) . .
N2 C13 H13A 109.5 . .
C14 C13 H13A 109.5 . .
N2 C13 H13B 109.5 . .
C14 C13 H13B 109.5 . .
H13A C13 H13B 108.1 . .
C19 C14 C15 118.7(7) . .
C19 C14 C13 121.3(6) . .
C15 C14 C13 119.9(6) . .
C14 C15 C16 122.0(7) . .
C14 C15 H15 119.0 . .
C16 C15 H15 119.0 . .
C17 C16 C15 118.9(7) . .
C17 C16 C24 119.0(6) . .
C15 C16 C24 122.0(7) . .
C16 C17 C18 120.4(7) . .
C16 C17 H17 119.8 . .
C18 C17 H17 119.8 . .
C19 C18 C17 119.0(7) . .
C19 C18 C20 119.1(7) . .
C17 C18 C20 121.8(7) . .
C14 C19 C18 121.0(7) . .
C14 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
N4 C20 C18 115.0(6) . .
N4 C20 H20A 108.5 . .
C18 C20 H20A 108.5 . .
N4 C20 H20B 108.5 . .
C18 C20 H20B 108.5 . .
H20A C20 H20B 107.5 . .
N4 C21 C22 105.8(7) . .
N4 C21 H21 127.1 . .
C22 C21 H21 127.1 . .
C21 C22 N3 110.2(7) . .
C21 C22 H22 124.9 . .
N3 C22 H22 124.9 . .
N3 C23 N4 112.0(6) . .
N3 C23 H23 124.0 . .
N4 C23 H23 124.0 . .
N6 C24 C16 110.0(5) . .
N6 C24 H24A 109.7 . .
C16 C24 H24A 109.7 . .
N6 C24 H24B 109.7 . .
C16 C24 H24B 109.7 . .
H24A C24 H24B 108.2 . .
N6 C25 C26 105.6(5) . .
N6 C25 H25 127.2 . .
C26 C25 H25 127.2 . .
N5 C26 C25 110.0(6) . .
N5 C26 H26 125.0 . .
C25 C26 H26 125.0 . .
N5 C27 N6 111.6(6) . .
N5 C27 H27 124.2 . .
N6 C27 H27 124.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.249(5) 1_444
Cd1 N3 2.249(5) 2_775
Cd1 O8 2.366(4) .
Cd1 O8 2.366(4) 2_664
Cd1 O3 2.368(4) 2_664
Cd1 O3 2.368(4) .
Cd2 N1 2.224(5) .
Cd2 N5 2.251(5) 1_445
Cd2 O1 2.278(4) .
Cd2 O6 2.320(4) 2_655
Cd2 O2 2.349(4) 2_665
Cd2 O7 2.434(5) .
O1 C1 1.248(7) .
O2 C1 1.250(7) .
O2 Cd2 2.349(4) 2_665
O3 C8 1.253(7) .
O4 C8 1.254(7) .
O5 C9 1.239(7) .
O6 C9 1.251(7) .
O6 Cd2 2.320(4) 2_655
O7 H7D 0.94(2) .
O7 H7C 0.94(2) .
O8 H8C 0.945(19) .
O8 H8D 0.951(19) .
O9 H9C 0.96(2) .
O9 H9D 0.97(2) .
N1 C12 1.301(8) .
N1 C10 1.376(8) .
N2 C12 1.333(8) .
N2 C11 1.368(9) .
N2 C13 1.468(7) .
N3 C23 1.314(8) .
N3 C22 1.358(9) .
N3 Cd1 2.249(5) 1_666
N4 C23 1.325(8) .
N4 C21 1.349(9) .
N4 C20 1.470(8) .
N5 C27 1.315(7) .
N5 C26 1.352(7) .
N5 Cd2 2.251(5) 1_665
N6 C27 1.331(7) .
N6 C25 1.359(8) .
N6 C24 1.479(7) .
C1 C2 1.512(8) .
C2 C3 1.383(7) .
C2 C7 1.402(8) .
C3 C4 1.380(8) .
C3 H3 0.9300 .
C4 C5 1.379(8) .
C4 C8 1.517(9) .
C5 C6 1.390(7) .
C5 H5 0.9300 .
C6 C7 1.370(8) .
C6 C9 1.512(8) .
C7 H7 0.9300 .
C10 C11 1.335(9) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.502(9) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C19 1.367(9) .
C14 C15 1.380(9) .
C15 C16 1.381(9) .
C15 H15 0.9300 .
C16 C17 1.371(9) .
C16 C24 1.490(10) .
C17 C18 1.399(10) .
C17 H17 0.9300 .
C18 C19 1.392(10) .
C18 C20 1.491(10) .
C19 H19 0.9300 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.351(10) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.361(9) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 H27 0.9300 .
