#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/27/1512744.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_1512744
loop_
_publ_author_name
'Timothy J. Boyle'
'Leigh Anna M. Steele'
'Alia Saad'
_publ_section_title
;
 Synthesis and characterization of the heavy alkaline earth aryloxide
 congeners
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              259
_journal_page_last               268
_journal_paper_doi               10.1016/j.ica.2012.07.019
_journal_volume                  394
_journal_year                    2013
_chemical_formula_moiety         'C62 H66 N6 O4 Sr2, (C5 H5 N)'
_chemical_formula_sum            'C67 H71 N7 O4 Sr2'
_chemical_formula_weight         1213.59
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 101.3280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8064(9)
_cell_length_b                   18.3229(13)
_cell_length_c                   14.2866(10)
_cell_measurement_reflns_used    6770
_cell_measurement_temperature    188(2)
_cell_measurement_theta_max      24.18
_cell_measurement_theta_min      2.25
_cell_volume                     3287.0(4)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      188(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0866
_diffrn_reflns_av_sigmaI/netI    0.1191
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26056
_diffrn_reflns_theta_full        26.42
_diffrn_reflns_theta_max         26.42
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.677
_exptl_absorpt_correction_T_max  0.7072
_exptl_absorpt_correction_T_min  0.5623
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.535
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.811
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         6723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.811
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0171P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0688
_reflns_number_gt                3759
_reflns_number_total             6723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-394-259-268-1.cif
_cod_data_source_block           11oc282new
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1512744
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
Sr1 Sr 1.02230(2) 0.926440(14) 0.10306(2) 0.02933(9) Uani 1 1 d .
N1 N 0.87789(19) 0.90177(13) 0.22106(17) 0.0367(7) Uani 1 1 d .
N2 N 1.10292(18) 1.00998(14) 0.25700(18) 0.0388(7) Uani 1 1 d .
N3 N 1.23297(19) 0.88572(14) 0.15853(18) 0.0418(7) Uani 1 1 d .
N4 N 0.9494(5) 0.2218(3) 0.5203(3) 0.1278(16) Uani 1 1 d .
O1 O 0.89831(14) 1.02233(9) 0.02634(13) 0.0339(5) Uani 1 1 d .
O2 O 0.98646(15) 0.80375(9) 0.06642(13) 0.0382(5) Uani 1 1 d .
C1 C 0.8058(2) 1.03393(16) 0.0548(2) 0.0308(7) Uani 1 1 d .
C2 C 0.7898(2) 1.09710(16) 0.1072(2) 0.0369(8) Uani 1 1 d .
C3 C 0.6938(3) 1.10607(18) 0.1373(2) 0.0489(9) Uani 1 1 d .
H3 H 0.6836 1.1484 0.1728 0.059 Uiso 1 1 calc R
C4 C 0.6135(3) 1.05566(19) 0.1172(2) 0.0524(10) Uani 1 1 d .
H4 H 0.5486 1.0625 0.1388 0.063 Uiso 1 1 calc R
C5 C 0.6292(2) 0.99458(18) 0.0649(2) 0.0460(9) Uani 1 1 d .
H5 H 0.5740 0.9593 0.0510 0.055 Uiso 1 1 calc R
C6 C 0.7224(2) 0.98330(16) 0.0323(2) 0.0338(8) Uani 1 1 d .
C7 C 0.7352(2) 0.91744(16) -0.0272(2) 0.0473(9) Uani 1 1 d .
H7A H 0.6685 0.8897 -0.0398 0.071 Uiso 1 1 calc R
H7B H 0.7926 0.8866 0.0073 0.071 Uiso 1 1 calc R
H7C H 0.7528 0.9332 -0.0878 0.071 Uiso 1 1 calc R
C8 C 0.8762(2) 1.15347(15) 0.1311(2) 0.0561(10) Uani 1 1 d .
H8A H 0.8443 1.2023 0.1269 0.084 Uiso 1 1 calc R
H8B H 0.9244 1.1497 0.0858 0.084 Uiso 1 1 calc R
H8C H 0.9163 1.1452 0.1960 0.084 Uiso 1 1 calc R
C9 C 0.9799(2) 0.73167(15) 0.0673(2) 0.0326(7) Uani 1 1 d .
C10 C 0.9343(2) 0.69294(16) -0.0170(2) 0.0363(8) Uani 1 1 d .
C11 C 0.9285(2) 0.61735(17) -0.0142(3) 0.0497(9) Uani 1 1 d .
H11 H 0.8993 0.5914 -0.0709 0.060 Uiso 1 1 calc R
C12 C 0.9641(3) 0.57911(17) 0.0689(3) 0.0547(9) Uani 1 1 d .
H12 H 0.9589 0.5274 0.0694 0.066 Uiso 1 1 calc R
C13 C 1.0070(2) 0.61617(17) 0.1510(2) 0.0476(9) Uani 1 1 d .
H13 H 1.0308 0.5897 0.2084 0.057 Uiso 1 1 calc R
C14 C 1.0163(2) 0.69162(16) 0.1516(2) 0.0373(8) Uani 1 1 d .
C15 C 1.0654(3) 0.73111(17) 0.2420(2) 0.0568(10) Uani 1 1 d .
H15A H 1.0906 0.6955 0.2925 0.085 Uiso 1 1 calc R
H15B H 1.0119 0.7629 0.2616 0.085 Uiso 1 1 calc R
H15C H 1.1254 0.7607 0.2307 0.085 Uiso 1 1 calc R
C16 C 0.8904(2) 0.73370(16) -0.1072(2) 0.0512(9) Uani 1 1 d .
H16A H 0.9489 0.7487 -0.1379 0.077 Uiso 1 1 calc R
H16B H 0.8520 0.7770 -0.0920 0.077 Uiso 1 1 calc R
H16C H 0.8415 0.7020 -0.1505 0.077 Uiso 1 1 calc R
C17 C 0.8239(2) 0.83915(17) 0.2132(2) 0.0425(9) Uani 1 1 d .
H17 H 0.8465 0.8011 0.1766 0.051 Uiso 1 1 calc R
C18 C 0.7380(3) 0.82618(19) 0.2548(2) 0.0510(9) Uani 1 1 d .
H18 H 0.7024 0.7805 0.2466 0.061 Uiso 1 1 calc R
C19 C 0.7038(3) 0.8807(2) 0.3088(2) 0.0533(10) Uani 1 1 d .
H19 H 0.6453 0.8732 0.3395 0.064 Uiso 1 1 calc R
C20 C 0.7570(3) 0.94565(18) 0.3165(2) 0.0478(9) Uani 1 1 d .
H20 H 0.7352 0.9849 0.3517 0.057 Uiso 1 1 calc R
C21 C 0.8430(2) 0.95347(17) 0.2724(2) 0.0410(9) Uani 1 1 d .
H21 H 0.8797 0.9988 0.2791 0.049 Uiso 1 1 calc R
C22 C 1.1351(2) 1.07782(19) 0.2447(2) 0.0477(8) Uani 1 1 d .
H22 H 1.1080 1.1014 0.1857 0.057 Uiso 1 1 calc R
C23 C 1.2052(3) 1.1155(2) 0.3126(3) 0.0640(11) Uani 1 1 d .
H23 H 1.2259 1.1637 0.3001 0.077 Uiso 1 1 calc R
C24 C 1.2445(3) 1.0835(2) 0.3971(3) 0.0682(12) Uani 1 1 d .
H24 H 1.2936 1.1086 0.4448 0.082 Uiso 1 1 calc R
C25 C 1.2126(3) 1.0145(2) 0.4129(2) 0.0564(10) Uani 1 1 d .
H25 H 1.2385 0.9907 0.4720 0.068 Uiso 1 1 calc R
C26 C 1.1420(3) 0.97969(17) 0.3413(2) 0.0467(9) Uani 1 1 d .
H26 H 1.1200 0.9315 0.3528 0.056 Uiso 1 1 calc R
C27 C 1.3170(3) 0.92683(18) 0.1947(2) 0.0459(8) Uani 1 1 d .
H27 H 1.3049 0.9704 0.2271 0.055 Uiso 1 1 calc R
C28 C 1.4196(3) 0.91045(19) 0.1882(2) 0.0557(10) Uani 1 1 d .
H28 H 1.4766 0.9420 0.2149 0.067 Uiso 1 1 calc R
C29 C 1.4383(3) 0.8474(2) 0.1423(3) 0.0633(11) Uani 1 1 d .
H29 H 1.5086 0.8344 0.1366 0.076 Uiso 1 1 calc R
C30 C 1.3546(3) 0.80390(19) 0.1051(3) 0.0630(11) Uani 1 1 d .
H30 H 1.3654 0.7598 0.0732 0.076 Uiso 1 1 calc R
C31 C 1.2535(3) 0.82472(18) 0.1143(2) 0.0526(10) Uani 1 1 d .
H31 H 1.1954 0.7940 0.0879 0.063 Uiso 1 1 calc R
C32 C 1.0112(3) 0.1604(3) 0.5149(4) 0.0948(19) Uani 1 1 d .
H32 H 1.0829 0.1581 0.5486 0.114 Uiso 1 1 calc R
C33 C 0.9671(5) 0.1043(2) 0.4608(5) 0.112(2) Uani 1 1 d .
H33 H 1.0109 0.0635 0.4543 0.135 Uiso 1 1 calc R
C34 C 0.8716(4) 0.1025(2) 0.4181(3) 0.0810(16) Uani 1 1 d .
H34 H 0.8445 0.0605 0.3826 0.097 Uiso 1 1 calc R
C35 C 0.8116(3) 0.1567(3) 0.4226(3) 0.0770(13) Uani 1 1 d .
H35 H 0.7399 0.1545 0.3889 0.092 Uiso 1 1 calc R
C36 C 0.8444(4) 0.2161(2) 0.4721(3) 0.0812(14) Uani 1 1 d .
H36 H 0.7960 0.2550 0.4747 0.097 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'
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'
Sr Sr -1.5307 3.2498 '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
O2 Sr1 O1 106.90(6) . 3_775
O2 Sr1 O1 120.25(6) . .
O1 Sr1 O1 73.78(7) 3_775 .
O2 Sr1 N2 138.81(7) . .
O1 Sr1 N2 104.24(7) 3_775 .
O1 Sr1 N2 93.86(7) . .
O2 Sr1 N3 86.68(7) . .
O1 Sr1 N3 78.13(6) 3_775 .
O1 Sr1 N3 145.55(7) . .
N2 Sr1 N3 74.03(8) . .
O2 Sr1 N1 81.61(7) . .
O1 Sr1 N1 160.20(6) 3_775 .
O1 Sr1 N1 86.47(6) . .
N2 Sr1 N1 78.00(7) . .
N3 Sr1 N1 120.81(7) . .
O2 Sr1 Sr1 119.80(5) . 3_775
O1 Sr1 Sr1 36.99(4) 3_775 3_775
O1 Sr1 Sr1 36.79(4) . 3_775
N2 Sr1 Sr1 101.28(6) . 3_775
N3 Sr1 Sr1 112.86(5) . 3_775
N1 Sr1 Sr1 123.25(5) . 3_775
C21 N1 C17 115.8(3) . .
C21 N1 Sr1 123.79(19) . .
C17 N1 Sr1 119.1(2) . .
C26 N2 C22 115.9(3) . .
C26 N2 Sr1 120.9(2) . .
C22 N2 Sr1 119.9(2) . .
C27 N3 C31 116.0(3) . .
C27 N3 Sr1 128.9(2) . .
C31 N3 Sr1 111.2(2) . .
C32 N4 C36 114.7(4) . .
C1 O1 Sr1 133.29(16) . 3_775
C1 O1 Sr1 120.36(16) . .
Sr1 O1 Sr1 106.22(7) 3_775 .
C9 O2 Sr1 165.78(19) . .
O1 C1 C6 120.2(3) . .
O1 C1 C2 121.2(3) . .
C6 C1 C2 118.7(3) . .
C3 C2 C1 119.3(3) . .
C3 C2 C8 120.4(3) . .
C1 C2 C8 120.4(3) . .
C4 C3 C2 121.9(3) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C3 C4 C5 118.4(3) . .
C3 C4 H4 120.8 . .
C5 C4 H4 120.8 . .
C6 C5 C4 122.1(3) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C1 119.6(3) . .
C5 C6 C7 120.6(3) . .
C1 C6 C7 119.9(3) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C2 C8 H8A 109.5 . .
C2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O2 C9 C14 121.1(3) . .
O2 C9 C10 120.4(3) . .
C14 C9 C10 118.4(3) . .
C11 C10 C9 119.3(3) . .
C11 C10 C16 120.6(3) . .
C9 C10 C16 120.1(3) . .
C12 C11 C10 121.5(3) . .
C12 C11 H11 119.3 . .
C10 C11 H11 119.3 . .
C13 C12 C11 119.6(3) . .
C13 C12 H12 120.2 . .
C11 C12 H12 120.2 . .
C12 C13 C14 121.1(3) . .
C12 C13 H13 119.4 . .
C14 C13 H13 119.4 . .
C13 C14 C9 120.0(3) . .
C13 C14 C15 120.3(3) . .
C9 C14 C15 119.7(3) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C10 C16 H16A 109.5 . .
C10 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C10 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N1 C17 C18 124.1(3) . .
N1 C17 H17 118.0 . .
C18 C17 H17 118.0 . .
C17 C18 C19 119.0(3) . .
C17 C18 H18 120.5 . .
C19 C18 H18 120.5 . .
C20 C19 C18 117.8(3) . .
C20 C19 H19 121.1 . .
C18 C19 H19 121.1 . .
C19 C20 C21 119.0(3) . .
C19 C20 H20 120.5 . .
C21 C20 H20 120.5 . .
N1 C21 C20 124.3(3) . .
N1 C21 H21 117.8 . .
C20 C21 H21 117.8 . .
N2 C22 C23 123.6(3) . .
N2 C22 H22 118.2 . .
C23 C22 H22 118.2 . .
C24 C23 C22 119.5(4) . .
C24 C23 H23 120.3 . .
C22 C23 H23 120.3 . .
C23 C24 C25 118.7(4) . .
C23 C24 H24 120.6 . .
C25 C24 H24 120.6 . .
C24 C25 C26 118.7(3) . .
C24 C25 H25 120.6 . .
C26 C25 H25 120.6 . .
N2 C26 C25 123.5(3) . .
N2 C26 H26 118.2 . .
C25 C26 H26 118.2 . .
N3 C27 C28 124.3(3) . .
N3 C27 H27 117.9 . .
C28 C27 H27 117.9 . .
C27 C28 C29 118.5(3) . .
C27 C28 H28 120.8 . .
C29 C28 H28 120.8 . .
C30 C29 C28 118.8(3) . .
C30 C29 H29 120.6 . .
C28 C29 H29 120.6 . .
C29 C30 C31 118.9(3) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
N3 C31 C30 123.5(3) . .
N3 C31 H31 118.3 . .
C30 C31 H31 118.3 . .
C33 C32 N4 118.3(5) . .
C33 C32 H32 120.9 . .
N4 C32 H32 120.9 . .
C34 C33 C32 124.0(5) . .
C34 C33 H33 118.0 . .
C32 C33 H33 118.0 . .
C33 C34 C35 119.9(5) . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C34 C35 C36 122.8(5) . .
C34 C35 H35 118.6 . .
C36 C35 H35 118.6 . .
C35 C36 N4 120.2(4) . .
C35 C36 H36 119.9 . .
N4 C36 H36 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 O2 2.3332(17) .
Sr1 O1 2.4639(18) 3_775
Sr1 O1 2.4751(17) .
Sr1 N2 2.712(2) .
Sr1 N3 2.761(2) .
Sr1 N1 2.773(2) .
Sr1 Sr1 3.9501(6) 3_775
N1 C21 1.328(3) .
N1 C17 1.333(3) .
N2 C26 1.331(3) .
N2 C22 1.332(3) .
N3 C27 1.332(3) .
N3 C31 1.335(3) .
N4 C32 1.386(5) .
N4 C36 1.390(5) .
O1 C1 1.344(3) .
O1 Sr1 2.4639(18) 3_775
O2 C9 1.324(3) .
C1 C6 1.403(4) .
C1 C2 1.415(4) .
C2 C3 1.389(4) .
C2 C8 1.503(4) .
C3 C4 1.370(4) .
C3 H3 0.9500 .
C4 C5 1.382(4) .
C4 H4 0.9500 .
C5 C6 1.380(4) .
C5 H5 0.9500 .
C6 C7 1.503(4) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C14 1.409(4) .
C9 C10 1.421(4) .
C10 C11 1.388(4) .
C10 C16 1.500(4) .
C11 C12 1.377(4) .
C11 H11 0.9500 .
C12 C13 1.373(4) .
C12 H12 0.9500 .
C13 C14 1.387(4) .
C13 H13 0.9500 .
C14 C15 1.506(4) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.369(4) .
C17 H17 0.9500 .
C18 C19 1.385(4) .
C18 H18 0.9500 .
C19 C20 1.365(4) .
C19 H19 0.9500 .
C20 C21 1.379(4) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C22 C23 1.371(4) .
C22 H22 0.9500 .
C23 C24 1.348(4) .
C23 H23 0.9500 .
C24 C25 1.361(4) .
C24 H24 0.9500 .
C25 C26 1.381(4) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C28 1.369(4) .
C27 H27 0.9500 .
C28 C29 1.373(4) .
C28 H28 0.9500 .
C29 C30 1.358(4) .
C29 H29 0.9500 .
C30 C31 1.381(4) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C33 1.343(6) .
C32 H32 0.9500 .
C33 C34 1.255(6) .
C33 H33 0.9500 .
C34 C35 1.265(5) .
C34 H34 0.9500 .
C35 C36 1.320(5) .
C35 H35 0.9500 .
C36 H36 0.9500 .
