#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/43/4024373.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_4024373
loop_
_publ_author_name
'Paromita Debroy'
'Sergey V. Lindeman'
'Rajendra Rathore'
_publ_section_title
;
A Versatile Synthesis of Electroactive Stilbenoprismands for Effective
Binding of Metal Cations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2080
_journal_page_last               2087
_journal_paper_doi               10.1021/jo802579f
_journal_volume                  74
_journal_year                    2009
_chemical_formula_sum            'C44 H30'
_chemical_formula_weight         558.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.0470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.10330(10)
_cell_length_b                   27.2058(4)
_cell_length_c                   15.6121(3)
_cell_measurement_reflns_used    7506
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      61
_cell_measurement_theta_min      3
_cell_volume                     2979.52(8)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 v2.0-2 (Bruker, 2005)'
_computing_data_reduction        'SADABS-2004/1 (Bruker, 2005)'
_computing_molecular_graphics    'XP v5.1 (Bruker, 1998)'
_computing_publication_material  'XCIF v6.12 (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 v.97-2 (Sheldrick, 1993-1997)'
_computing_structure_solution    'XS/SHELXTL v6.12 (Bruker, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX2 CCD detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0174
_diffrn_reflns_av_sigmaI/netI    0.0106
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24633
_diffrn_reflns_theta_full        66.40
_diffrn_reflns_theta_max         62.70
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.534
_exptl_absorpt_correction_T_max  0.9636
_exptl_absorpt_correction_T_min  0.7725
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS. Program for empirical absorption correction of
 area-detector data. University of Goetingen. Germany. 
 Sheldrick, G. M. 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.142
_refine_diff_density_min         -0.116
_refine_diff_density_rms         0.026
_refine_ls_extinction_coef       0.00081(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         4488
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0354P)²+0.8171P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                4212
_reflns_number_total             4488
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo802579f_si_005.cif
_cod_data_source_block           raj4o
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4024373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
C1 C 1.01000(15) -0.09605(4) 0.70585(7) 0.0217(2) Uani 1 1 d . . .
C2 C 0.90085(15) -0.09404(4) 0.76980(7) 0.0217(2) Uani 1 1 d . . .
C11 C 1.16968(16) 0.13391(4) 0.69907(7) 0.0229(2) Uani 1 1 d . . .
C12 C 0.97151(17) 0.13682(4) 0.68215(7) 0.0261(3) Uani 1 1 d . . .
C13 C 0.86371(17) 0.13796(4) 0.74900(7) 0.0265(3) Uani 1 1 d . . .
C14 C 0.95110(16) 0.13698(4) 0.83527(7) 0.0228(2) Uani 1 1 d . . .
C15 C 1.14968(17) 0.13699(4) 0.85244(7) 0.0260(3) Uani 1 1 d . . .
C16 C 1.25751(17) 0.13514(4) 0.78554(7) 0.0257(3) Uani 1 1 d . . .
C21 C 1.28709(15) 0.13004(4) 0.62743(7) 0.0229(2) Uani 1 1 d . . .
C22 C 1.31722(15) 0.08477(4) 0.58740(7) 0.0225(2) Uani 1 1 d . . .
C23 C 1.43662(16) 0.08379(4) 0.52415(7) 0.0260(3) Uani 1 1 d . . .
C24 C 1.52176(17) 0.12598(4) 0.49881(8) 0.0279(3) Uani 1 1 d . . .
C25 C 1.49069(17) 0.17049(4) 0.53762(7) 0.0285(3) Uani 1 1 d . . .
C26 C 1.37632(16) 0.17214(4) 0.60175(7) 0.0269(3) Uani 1 1 d . . .
C31 C 0.83439(16) 0.13539(4) 0.90737(7) 0.0233(2) Uani 1 1 d . . .
C32 C 0.76693(15) 0.09062(4) 0.93693(7) 0.0232(2) Uani 1 1 d . . .
C33 C 0.65579(16) 0.09192(4) 1.00350(7) 0.0258(3) Uani 1 1 d . . .
C34 C 0.61484(16) 0.13573(4) 1.04179(7) 0.0277(3) Uani 1 1 d . . .
C35 C 0.68023(17) 0.17957(4) 1.01240(8) 0.0294(3) Uani 1 1 d . . .
C36 C 0.78701(17) 0.17930(4) 0.94527(7) 0.0272(3) Uani 1 1 d . . .
C41 C 1.23308(15) 0.03757(4) 0.61245(7) 0.0223(2) Uani 1 1 d . . .
C42 C 1.35256(16) -0.00172(4) 0.64154(7) 0.0243(3) Uani 1 1 d . . .
C43 C 1.27965(16) -0.04565(4) 0.66721(7) 0.0239(2) Uani 1 1 d . . .
C44 C 1.08464(15) -0.05109(4) 0.66817(7) 0.0216(2) Uani 1 1 d . . .
C45 C 0.96451(16) -0.01287(4) 0.63479(7) 0.0240(2) Uani 1 1 d . . .
C46 C 1.03683(16) 0.03041(4) 0.60644(7) 0.0245(3) Uani 1 1 d . . .
C51 C 0.80544(16) 0.04222(4) 0.89801(7) 0.0229(2) Uani 1 1 d . . .
C52 C 0.65552(16) 0.01000(4) 0.87024(7) 0.0255(3) Uani 1 1 d . . .
C53 C 0.68762(16) -0.03465(4) 0.83209(7) 0.0249(3) Uani 1 1 d . . .
C54 C 0.86932(15) -0.04790(4) 0.81701(7) 0.0216(2) Uani 1 1 d . . .
C55 C 1.02054(16) -0.01659(4) 0.84882(7) 0.0232(2) Uani 1 1 d . . .
C56 C 0.98963(16) 0.02718(4) 0.88941(7) 0.0234(2) Uani 1 1 d . . .
C61 C 1.06263(15) -0.14422(4) 0.67022(7) 0.0218(2) Uani 1 1 d . . .
C62 C 1.02157(16) -0.15366(4) 0.58151(7) 0.0242(3) Uani 1 1 d . . .
C63 C 1.05424(17) -0.19989(4) 0.54930(8) 0.0278(3) Uani 1 1 d . . .
C64 C 1.13101(16) -0.23701(4) 0.60493(8) 0.0277(3) Uani 1 1 d . . .
C65 C 1.17851(16) -0.22744(4) 0.69297(8) 0.0268(3) Uani 1 1 d . . .
C66 C 1.14606(16) -0.18137(4) 0.72536(7) 0.0248(3) Uani 1 1 d . . .
C71 C 0.81259(15) -0.13982(4) 0.79816(7) 0.0225(2) Uani 1 1 d . . .
C72 C 0.85012(16) -0.15435(4) 0.88470(7) 0.0242(3) Uani 1 1 d . . .
C73 C 0.79137(17) -0.20007(4) 0.90953(8) 0.0290(3) Uani 1 1 d . . .
C74 C 0.69147(17) -0.23140(4) 0.84864(8) 0.0312(3) Uani 1 1 d . . .
C75 C 0.64651(17) -0.21643(4) 0.76301(8) 0.0304(3) Uani 1 1 d . . .
C76 C 0.70497(16) -0.17078(4) 0.73784(8) 0.0266(3) Uani 1 1 d . . .
H12 H 0.9058(18) 0.1374(4) 0.6203(8) 0.030(3) Uiso 1 1 d . . .
H13 H 0.721(2) 0.1389(4) 0.7345(8) 0.033(3) Uiso 1 1 d . . .
H15 H 1.2166(18) 0.1370(4) 0.9134(9) 0.030(3) Uiso 1 1 d . . .
H16 H 1.3986(19) 0.1339(4) 0.7992(8) 0.031(3) Uiso 1 1 d . . .
H23 H 1.4588(17) 0.0520(5) 0.4966(8) 0.031(3) Uiso 1 1 d . . .
H24 H 1.6062(18) 0.1247(4) 0.4539(8) 0.031(3) Uiso 1 1 d . . .
H25 H 1.5506(18) 0.2009(5) 0.5195(8) 0.035(3) Uiso 1 1 d . . .
H26 H 1.3568(17) 0.2038(5) 0.6307(8) 0.030(3) Uiso 1 1 d . . .
H33 H 0.6097(17) 0.0604(4) 1.0242(7) 0.026(3) Uiso 1 1 d . . .
H34 H 0.5384(18) 0.1356(4) 1.0891(8) 0.030(3) Uiso 1 1 d . . .
H35 H 0.6503(18) 0.2111(5) 1.0388(8) 0.033(3) Uiso 1 1 d . . .
H36 H 0.8332(17) 0.2108(5) 0.9231(8) 0.028(3) Uiso 1 1 d . . .
H42 H 1.4916(18) 0.0022(4) 0.6445(7) 0.026(3) Uiso 1 1 d . . .
H43 H 1.3644(18) -0.0728(5) 0.6887(8) 0.027(3) Uiso 1 1 d . . .
H45 H 0.8264(19) -0.0166(4) 0.6330(8) 0.028(3) Uiso 1 1 d . . .
H46 H 0.9474(18) 0.0563(5) 0.5812(8) 0.029(3) Uiso 1 1 d . . .
H52 H 0.5222(19) 0.0195(4) 0.8770(8) 0.029(3) Uiso 1 1 d . . .
H53 H 0.5788(17) -0.0567(4) 0.8125(8) 0.026(3) Uiso 1 1 d . . .
H55 H 1.1518(18) -0.0267(4) 0.8415(7) 0.023(3) Uiso 1 1 d . . .
H56 H 1.1022(17) 0.0478(4) 0.9130(8) 0.025(3) Uiso 1 1 d . . .
H62 H 0.9630(17) -0.1277(4) 0.5414(8) 0.026(3) Uiso 1 1 d . . .
H63 H 1.0209(18) -0.2064(5) 0.4867(9) 0.037(3) Uiso 1 1 d . . .
H64 H 1.1528(18) -0.2709(5) 0.5836(8) 0.034(3) Uiso 1 1 d . . .
H65 H 1.2346(18) -0.2541(5) 0.7323(8) 0.034(3) Uiso 1 1 d . . .
H66 H 1.1770(17) -0.1744(4) 0.7884(8) 0.026(3) Uiso 1 1 d . . .
H72 H 0.9241(17) -0.1325(4) 0.9282(8) 0.026(3) Uiso 1 1 d . . .
H73 H 0.8248(18) -0.2109(5) 0.9718(9) 0.036(3) Uiso 1 1 d . . .
H74 H 0.6541(18) -0.2647(5) 0.8661(8) 0.036(3) Uiso 1 1 d . . .
H75 H 0.5727(18) -0.2384(5) 0.7184(8) 0.031(3) Uiso 1 1 d . . .
H76 H 0.6764(17) -0.1605(4) 0.6764(9) 0.030(3) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
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
C2 C1 C44 122.45(9) . . ?
C2 C1 C61 120.96(9) . . ?
C44 C1 C61 116.59(9) . . ?
C1 C2 C54 123.03(9) . . ?
C1 C2 C71 119.96(9) . . ?
C54 C2 C71 116.96(9) . . ?
C12 C11 C16 117.82(10) . . ?
C12 C11 C21 121.75(10) . . ?
C16 C11 C21 120.42(10) . . ?
C13 C12 C11 121.27(11) . . ?
C13 C12 H12 119.6(7) . . ?
C11 C12 H12 119.1(7) . . ?
C12 C13 C14 120.81(11) . . ?
C12 C13 H13 119.2(7) . . ?
C14 C13 H13 120.0(7) . . ?
C13 C14 C15 118.03(10) . . ?
C13 C14 C31 120.78(10) . . ?
C15 C14 C31 121.19(10) . . ?
C16 C15 C14 121.07(11) . . ?
C16 C15 H15 118.8(7) . . ?
C14 C15 H15 120.1(7) . . ?
C15 C16 C11 120.82(11) . . ?
C15 C16 H16 119.8(7) . . ?
C11 C16 H16 119.3(7) . . ?
C26 C21 C22 118.72(10) . . ?
C26 C21 C11 119.12(10) . . ?
C22 C21 C11 122.11(9) . . ?
C23 C22 C21 118.66(10) . . ?
C23 C22 C41 118.68(10) . . ?
C21 C22 C41 122.61(9) . . ?
C24 C23 C22 121.76(11) . . ?
C24 C23 H23 119.6(7) . . ?
C22 C23 H23 118.6(7) . . ?
C23 C24 C25 119.50(11) . . ?
C23 C24 H24 120.8(7) . . ?
C25 C24 H24 119.7(7) . . ?
C26 C25 C24 119.71(11) . . ?
C26 C25 H25 120.4(7) . . ?
C24 C25 H25 119.9(7) . . ?
C25 C26 C21 121.62(11) . . ?
C25 C26 H26 119.8(7) . . ?
C21 C26 H26 118.6(7) . . ?
C36 C31 C32 118.82(10) . . ?
C36 C31 C14 119.44(10) . . ?
C32 C31 C14 121.73(9) . . ?
C33 C32 C31 118.71(10) . . ?
C33 C32 C51 118.99(10) . . ?
C31 C32 C51 122.28(9) . . ?
C34 C33 C32 121.53(11) . . ?
C34 C33 H33 120.2(7) . . ?
C32 C33 H33 118.3(7) . . ?
C35 C34 C33 119.64(11) . . ?
C35 C34 H34 120.4(7) . . ?
C33 C34 H34 120.0(7) . . ?
C34 C35 C36 119.86(11) . . ?
C34 C35 H35 120.2(7) . . ?
C36 C35 H35 119.9(7) . . ?
C35 C36 C31 121.41(11) . . ?
C35 C36 H36 120.4(7) . . ?
C31 C36 H36 118.2(7) . . ?
C42 C41 C46 117.69(10) . . ?
C42 C41 C22 119.71(10) . . ?
C46 C41 C22 122.59(10) . . ?
C43 C42 C41 121.24(10) . . ?
C43 C42 H42 119.7(7) . . ?
C41 C42 H42 119.0(7) . . ?
C42 C43 C44 120.73(10) . . ?
C42 C43 H43 120.8(7) . . ?
C44 C43 H43 118.3(7) . . ?
C45 C44 C43 117.87(10) . . ?
C45 C44 C1 121.68(10) . . ?
C43 C44 C1 120.43(10) . . ?
C46 C45 C44 121.20(10) . . ?
C46 C45 H45 119.8(7) . . ?
C44 C45 H45 119.0(7) . . ?
C45 C46 C41 120.93(10) . . ?
C45 C46 H46 119.1(7) . . ?
C41 C46 H46 120.0(7) . . ?
C52 C51 C56 117.82(10) . . ?
C52 C51 C32 120.07(10) . . ?
C56 C51 C32 122.11(10) . . ?
C53 C52 C51 120.98(10) . . ?
C53 C52 H52 119.5(7) . . ?
C51 C52 H52 119.5(7) . . ?
C52 C53 C54 121.16(11) . . ?
C52 C53 H53 119.4(7) . . ?
C54 C53 H53 119.4(7) . . ?
C53 C54 C55 117.49(10) . . ?
C53 C54 C2 121.06(10) . . ?
C55 C54 C2 121.44(10) . . ?
C56 C55 C54 121.24(10) . . ?
C56 C55 H55 120.6(7) . . ?
C54 C55 H55 118.2(7) . . ?
C55 C56 C51 120.99(10) . . ?
C55 C56 H56 118.5(7) . . ?
C51 C56 H56 120.5(7) . . ?
C62 C61 C66 118.76(10) . . ?
C62 C61 C1 120.41(10) . . ?
C66 C61 C1 120.78(10) . . ?
C63 C62 C61 120.43(11) . . ?
C63 C62 H62 119.7(7) . . ?
C61 C62 H62 119.8(7) . . ?
C64 C63 C62 120.32(11) . . ?
C64 C63 H63 120.0(8) . . ?
C62 C63 H63 119.7(8) . . ?
C63 C64 C65 119.62(11) . . ?
C63 C64 H64 122.0(7) . . ?
C65 C64 H64 118.4(7) . . ?
C66 C65 C64 120.21(11) . . ?
C66 C65 H65 120.6(7) . . ?
C64 C65 H65 119.1(7) . . ?
C65 C66 C61 120.57(10) . . ?
C65 C66 H66 120.7(7) . . ?
C61 C66 H66 118.7(7) . . ?
C72 C71 C76 118.91(10) . . ?
C72 C71 C2 119.96(10) . . ?
C76 C71 C2 120.91(10) . . ?
C73 C72 C71 120.39(11) . . ?
C73 C72 H72 119.9(7) . . ?
C71 C72 H72 119.6(7) . . ?
C74 C73 C72 120.26(11) . . ?
C74 C73 H73 120.0(7) . . ?
C72 C73 H73 119.8(7) . . ?
C75 C74 C73 119.76(11) . . ?
C75 C74 H74 120.0(7) . . ?
C73 C74 H74 120.2(7) . . ?
C74 C75 C76 120.19(11) . . ?
C74 C75 H75 120.8(7) . . ?
C76 C75 H75 119.0(7) . . ?
C75 C76 C71 120.37(11) . . ?
C75 C76 H76 120.2(7) . . ?
C71 C76 H76 119.3(7) . . ?
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
C1 C2 1.3582(16) . ?
C1 C44 1.4905(15) . ?
C1 C61 1.4939(15) . ?
C2 C54 1.4902(15) . ?
C2 C71 1.4924(15) . ?
C11 C12 1.3930(16) . ?
C11 C16 1.3956(16) . ?
C11 C21 1.5003(15) . ?
C12 C13 1.3884(16) . ?
C12 H12 1.004(13) . ?
C13 C14 1.3919(16) . ?
C13 H13 1.001(14) . ?
C14 C15 1.3938(16) . ?
C14 C31 1.4998(15) . ?
C15 C16 1.3898(16) . ?
C15 H15 0.995(13) . ?
C16 H16 0.992(13) . ?
C21 C26 1.3980(16) . ?
C21 C22 1.4126(15) . ?
C22 C23 1.3996(16) . ?
C22 C41 1.4941(15) . ?
C23 C24 1.3838(16) . ?
C23 H23 0.989(13) . ?
C24 C25 1.3872(17) . ?
C24 H24 0.993(13) . ?
C25 C26 1.3857(16) . ?
C25 H25 0.991(13) . ?
C26 H26 0.992(13) . ?
C31 C36 1.3975(15) . ?
C31 C32 1.4127(15) . ?
C32 C33 1.4010(16) . ?
C32 C51 1.4934(15) . ?
C33 C34 1.3847(16) . ?
C33 H33 0.989(12) . ?
C34 C35 1.3841(17) . ?
C34 H34 0.983(13) . ?
C35 C36 1.3871(17) . ?
C35 H35 0.988(13) . ?
C36 H36 0.999(13) . ?
C41 C42 1.3957(16) . ?
C41 C46 1.3961(16) . ?
C42 C43 1.3867(16) . ?
C42 H42 0.987(13) . ?
C43 C44 1.3955(16) . ?
C43 H43 0.979(13) . ?
C44 C45 1.3933(15) . ?
C45 C46 1.3847(16) . ?
C45 H45 0.982(13) . ?
C46 H46 0.988(13) . ?
C51 C52 1.3948(16) . ?
C51 C56 1.3974(16) . ?
C52 C53 1.3874(16) . ?
C52 H52 1.003(13) . ?
C53 C54 1.3952(16) . ?
C53 H53 0.988(13) . ?
C54 C55 1.3994(16) . ?
C55 C56 1.3825(16) . ?
C55 H55 0.996(12) . ?
C56 H56 0.999(12) . ?
C61 C62 1.3934(16) . ?
C61 C66 1.3976(16) . ?
C62 C63 1.3876(16) . ?
C62 H62 0.992(12) . ?
C63 C64 1.3867(17) . ?
C63 H63 0.985(14) . ?
C64 C65 1.3875(17) . ?
C64 H64 1.000(13) . ?
C65 C66 1.3843(16) . ?
C65 H65 0.992(13) . ?
C66 H66 0.993(13) . ?
C71 C72 1.3926(16) . ?
C71 C76 1.3980(16) . ?
C72 C73 1.3867(16) . ?
C72 H72 0.990(13) . ?
C73 C74 1.3862(18) . ?
C73 H73 1.008(13) . ?
C74 C75 1.3859(18) . ?
C74 H74 0.995(13) . ?
C75 C76 1.3859(17) . ?
C75 H75 1.001(13) . ?
C76 H76 0.988(13) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30658905
