#------------------------------------------------------------------------------
#$Date: 2021-11-10 02:10:02 +0200 (Wed, 10 Nov 2021) $
#$Revision: 270554 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/87/7708760.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_7708760
loop_
_publ_author_name
'Prakasham, A. P.'
'Ta, Sabyasachi'
'Dey, Shreyata'
'Ghosh, Prasenjit'
_publ_section_title
;
 One pot tandem dual CC and CO bond reductions in the
 β-alkylation of secondary alcohols with primary alcohols by ruthenium
 complexes of amido and picolyl functionalized N-heterocyclic carbenes.
;
_journal_issue                   43
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15640
_journal_page_last               15654
_journal_paper_doi               10.1039/d1dt02849a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C32 H38 Cl N3 O Ru'
_chemical_formula_sum            'C32 H38 Cl N3 O Ru'
_chemical_formula_weight         617.17
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-06-14
_audit_creation_method
;
Olex2 1.2-ac4
(compiled 2018.05.17 svn.r3504 for Rigaku Oxford Diffraction, GUI svn.r5492)
;
_audit_update_record
;
2019-06-27 deposited with the CCDC.	2021-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                103.407(3)
_cell_angle_beta                 104.358(3)
_cell_angle_gamma                102.686(3)
_cell_formula_units_Z            2
_cell_length_a                   8.0275(3)
_cell_length_b                   13.1953(5)
_cell_length_c                   15.2588(6)
_cell_measurement_reflns_used    6940
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.9790
_cell_measurement_theta_min      2.5200
_cell_volume                     1455.80(11)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1072
_diffrn_reflns_av_unetI/netI     0.0934
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10904
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.510
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20628
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       block
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.847
_refine_diff_density_min         -2.030
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5112
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0667
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0824P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1422
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4556
_reflns_number_total             5112
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02849a2.cif
_cod_data_source_block           pg-app-11-181-1_mo
_cod_original_cell_volume        1455.78(10)
_cod_database_code               7708760
_shelx_shelxl_version_number     2018/3
_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_max   0.987
_shelx_estimated_absorpt_t_min   0.874
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C30(H30)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C6(H6), C25(H25), C29(H29), C3(H3), C19(H19), C28(H28), C18(H18),
 C8(H8), C17(H17), C26(H26)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C31(H31A,H31B,
 H31C), C11(H11A,H11B,H11C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C), C32(H32A,
 H32B,H32C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.56074(4) 0.81084(2) 0.29954(2) 0.01650(15) Uani 1 1 d . . . . .
Cl1 Cl 0.86512(13) 0.79760(8) 0.33511(8) 0.0248(3) Uani 1 1 d . . . . .
N1 N 0.4113(4) 0.5759(3) 0.3171(2) 0.0197(7) Uani 1 1 d . . . . .
O1 O 0.5230(4) 0.7727(2) 0.15348(19) 0.0211(6) Uani 1 1 d . . . . .
N3 N 0.4642(5) 0.6593(3) 0.0039(2) 0.0229(8) Uani 1 1 d . . . . .
N2 N 0.5187(4) 0.5756(3) 0.2020(2) 0.0191(7) Uani 1 1 d . . . . .
C5 C 0.5009(6) 0.6420(3) 0.4890(3) 0.0236(9) Uani 1 1 d . . . . .
C2 C 0.4601(6) 0.4681(3) 0.1982(3) 0.0248(10) Uani 1 1 d . . . . .
H2 H 0.465968 0.406527 0.153588 0.030 Uiso 1 1 calc R . . . .
C4 C 0.3646(6) 0.6070(3) 0.4019(3) 0.0209(9) Uani 1 1 d . . . . .
C6 C 0.4553(6) 0.6769(3) 0.5704(3) 0.0263(10) Uani 1 1 d . . . . .
H6 H 0.546815 0.703472 0.630243 0.032 Uiso 1 1 calc R . . . .
C1 C 0.4886(5) 0.6436(3) 0.2739(3) 0.0186(8) Uani 1 1 d . . . . .
C9 C 0.1854(6) 0.6009(3) 0.3950(3) 0.0243(9) Uani 1 1 d . . . . .
C25 C 0.4559(5) 0.8582(3) 0.4184(3) 0.0195(9) Uani 1 1 d . . . . .
H25 H 0.423008 0.820227 0.460214 0.023 Uiso 1 1 calc R . . . .
C15 C 0.3760(6) 0.7267(3) -0.0376(3) 0.0224(9) Uani 1 1 d . . . . .
C20 C 0.4759(6) 0.8218(3) -0.0488(3) 0.0269(10) Uani 1 1 d . . . . .
C29 C 0.6751(5) 0.9863(3) 0.3821(3) 0.0218(9) Uani 1 1 d . . . . .
H29 H 0.792882 1.034174 0.398664 0.026 Uiso 1 1 calc R . . . .
C3 C 0.3927(6) 0.4680(3) 0.2705(3) 0.0250(9) Uani 1 1 d . . . . .
H3 H 0.341706 0.405765 0.286781 0.030 Uiso 1 1 calc R . . . .
C19 C 0.3817(7) 0.8826(4) -0.0940(3) 0.0312(10) Uani 1 1 d . . . . .
H19 H 0.447026 0.947626 -0.101535 0.037 Uiso 1 1 calc R . . . .
C14 C 0.5254(5) 0.6860(3) 0.0943(3) 0.0178(8) Uani 1 1 d . . . . .
C16 C 0.1899(6) 0.6926(3) -0.0725(3) 0.0274(10) Uani 1 1 d . . . . .
C28 C 0.5470(6) 0.9771(3) 0.2985(3) 0.0210(9) Uani 1 1 d . . . . .
H28 H 0.577570 1.020068 0.259581 0.025 Uiso 1 1 calc R . . . .
C24 C 0.6335(5) 0.9255(3) 0.4437(3) 0.0205(9) Uani 1 1 d . . . . .
C13 C 0.6094(5) 0.6087(3) 0.1359(3) 0.0203(9) Uani 1 1 d . . . . .
H13A H 0.597577 0.543553 0.084281 0.024 Uiso 1 1 calc R . . . .
H13B H 0.739113 0.644986 0.169868 0.024 Uiso 1 1 calc R . . . .
C7 C 0.2784(6) 0.6739(3) 0.5669(3) 0.0294(10) Uani 1 1 d . . . . .
C23 C 0.7752(6) 0.9344(3) 0.5321(3) 0.0266(10) Uani 1 1 d . . . . .
H23A H 0.720948 0.893265 0.569005 0.040 Uiso 1 1 calc GR . . . .
H23B H 0.829131 1.011145 0.570119 0.040 Uiso 1 1 calc GR . . . .
H23C H 0.868487 0.904539 0.515181 0.040 Uiso 1 1 calc GR . . . .
C21 C 0.6772(6) 0.8580(4) -0.0108(4) 0.0316(11) Uani 1 1 d . . . . .
H21A H 0.715351 0.870948 0.058004 0.047 Uiso 1 1 calc GR . . . .
H21B H 0.723982 0.925577 -0.024719 0.047 Uiso 1 1 calc GR . . . .
H21C H 0.723828 0.801309 -0.040879 0.047 Uiso 1 1 calc GR . . . .
C18 C 0.1980(7) 0.8507(4) -0.1275(3) 0.0359(11) Uani 1 1 d . . . . .
H18 H 0.136823 0.893553 -0.157666 0.043 Uiso 1 1 calc R . . . .
C22 C 0.0860(6) 0.5903(4) -0.0601(4) 0.0354(11) Uani 1 1 d . . . . .
H22A H 0.122147 0.528410 -0.090400 0.053 Uiso 1 1 calc GR . . . .
H22B H -0.043005 0.577562 -0.089490 0.053 Uiso 1 1 calc GR . . . .
H22C H 0.111112 0.598180 0.007761 0.053 Uiso 1 1 calc GR . . . .
C8 C 0.1476(6) 0.6349(4) 0.4793(3) 0.0299(11) Uani 1 1 d . . . . .
H8 H 0.026674 0.631111 0.476368 0.036 Uiso 1 1 calc R . . . .
C31 C 0.0796(6) 0.7884(4) 0.1391(3) 0.0341(11) Uani 1 1 d . . . . .
H31A H 0.002435 0.792729 0.179676 0.051 Uiso 1 1 calc GR . . . .
H31B H 0.125320 0.725498 0.139850 0.051 Uiso 1 1 calc GR . . . .
H31C H 0.009820 0.780250 0.073964 0.051 Uiso 1 1 calc GR . . . .
C11 C 0.6908(5) 0.6429(4) 0.4947(3) 0.0269(10) Uani 1 1 d . . . . .
H11A H 0.694104 0.568134 0.469763 0.040 Uiso 1 1 calc GR . . . .
H11B H 0.767901 0.673841 0.560960 0.040 Uiso 1 1 calc GR . . . .
H11C H 0.734146 0.687176 0.456934 0.040 Uiso 1 1 calc GR . . . .
C10 C 0.0417(6) 0.5599(4) 0.3006(3) 0.0317(11) Uani 1 1 d . . . . .
H10A H 0.079964 0.598000 0.257639 0.048 Uiso 1 1 calc GR . . . .
H10B H -0.069707 0.573445 0.308562 0.048 Uiso 1 1 calc GR . . . .
H10C H 0.020629 0.481468 0.273643 0.048 Uiso 1 1 calc GR . . . .
C12 C 0.2304(8) 0.7104(4) 0.6558(4) 0.0471(14) Uani 1 1 d . . . . .
H12A H 0.336545 0.728434 0.711360 0.071 Uiso 1 1 calc GR . . . .
H12B H 0.134505 0.651532 0.658200 0.071 Uiso 1 1 calc GR . . . .
H12C H 0.188709 0.774832 0.655880 0.071 Uiso 1 1 calc GR . . . .
C17 C 0.1010(6) 0.7556(4) -0.1173(3) 0.0329(11) Uani 1 1 d . . . . .
H17 H -0.026722 0.733252 -0.141014 0.039 Uiso 1 1 calc R . . . .
C30 C 0.2372(6) 0.8924(3) 0.1760(3) 0.0252(9) Uani 1 1 d . . . . .
H30 H 0.303460 0.890509 0.128417 0.030 Uiso 1 1 calc R . . . .
C32 C 0.1695(7) 0.9939(4) 0.1849(4) 0.0413(12) Uani 1 1 d . . . . .
H32A H 0.092724 0.990149 0.122640 0.062 Uiso 1 1 calc GR . . . .
H32B H 0.272631 1.059710 0.208266 0.062 Uiso 1 1 calc GR . . . .
H32C H 0.100242 0.996384 0.229605 0.062 Uiso 1 1 calc GR . . . .
C26 C 0.3247(6) 0.8459(3) 0.3318(3) 0.0217(9) Uani 1 1 d . . . . .
H26 H 0.206613 0.798487 0.315545 0.026 Uiso 1 1 calc R . . . .
C27 C 0.3690(5) 0.9036(3) 0.2699(3) 0.0191(9) Uani 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 0.0033 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'
Cl Cl 0.1484 0.1585 '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'
Ru Ru -1.2594 0.8363 '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
O1 Ru1 Cl1 92.71(8) . . ?
O1 Ru1 C25 148.78(13) . . ?
O1 Ru1 C29 116.14(13) . . ?
O1 Ru1 C28 87.93(13) . . ?
O1 Ru1 C24 153.43(13) . . ?
O1 Ru1 C26 111.05(14) . . ?
O1 Ru1 C27 84.20(13) . . ?
C1 Ru1 Cl1 84.31(11) . . ?
C1 Ru1 O1 84.57(13) . . ?
C1 Ru1 C25 99.69(14) . . ?
C1 Ru1 C29 158.28(17) . . ?
C1 Ru1 C28 161.58(16) . . ?
C1 Ru1 C24 121.98(15) . . ?
C1 Ru1 C26 100.11(14) . . ?
C1 Ru1 C27 124.29(15) . . ?
C25 Ru1 Cl1 118.43(11) . . ?
C25 Ru1 C29 66.42(14) . . ?
C25 Ru1 C28 78.42(14) . . ?
C25 Ru1 C24 37.18(15) . . ?
C29 Ru1 Cl1 88.00(11) . . ?
C29 Ru1 C28 36.35(15) . . ?
C28 Ru1 Cl1 112.88(11) . . ?
C24 Ru1 Cl1 89.41(10) . . ?
C24 Ru1 C29 37.44(14) . . ?
C24 Ru1 C28 66.99(15) . . ?
C26 Ru1 Cl1 156.08(12) . . ?
C26 Ru1 C25 37.74(15) . . ?
C26 Ru1 C29 79.29(15) . . ?
C26 Ru1 C28 67.05(14) . . ?
C26 Ru1 C24 68.20(15) . . ?
C26 Ru1 C27 37.44(14) . . ?
C27 Ru1 Cl1 150.55(10) . . ?
C27 Ru1 C25 67.76(14) . . ?
C27 Ru1 C29 67.59(15) . . ?
C27 Ru1 C28 37.90(15) . . ?
C27 Ru1 C24 81.08(15) . . ?
C1 N1 C4 126.8(3) . . ?
C1 N1 C3 110.3(3) . . ?
C3 N1 C4 122.8(3) . . ?
C14 O1 Ru1 130.4(3) . . ?
C14 N3 C15 118.5(3) . . ?
C2 N2 C13 121.7(3) . . ?
C1 N2 C2 112.4(3) . . ?
C1 N2 C13 125.9(3) . . ?
C4 C5 C11 121.4(4) . . ?
C6 C5 C4 117.7(4) . . ?
C6 C5 C11 121.0(4) . . ?
C3 C2 N2 105.9(3) . . ?
C5 C4 N1 118.3(3) . . ?
C5 C4 C9 122.4(4) . . ?
C9 C4 N1 119.3(4) . . ?
C5 C6 C7 121.9(4) . . ?
N1 C1 Ru1 133.8(3) . . ?
N2 C1 Ru1 122.3(3) . . ?
N2 C1 N1 103.9(3) . . ?
C4 C9 C10 121.1(4) . . ?
C8 C9 C4 117.2(4) . . ?
C8 C9 C10 121.8(4) . . ?
C24 C25 Ru1 71.8(2) . . ?
C24 C25 C26 121.5(4) . . ?
C26 C25 Ru1 70.6(2) . . ?
C20 C15 N3 120.5(4) . . ?
C16 C15 N3 118.3(4) . . ?
C16 C15 C20 121.0(4) . . ?
C15 C20 C21 120.6(4) . . ?
C19 C20 C15 118.0(4) . . ?
C19 C20 C21 121.4(4) . . ?
C28 C29 Ru1 72.0(2) . . ?
C28 C29 C24 121.3(4) . . ?
C24 C29 Ru1 71.0(2) . . ?
C2 C3 N1 107.5(3) . . ?
C18 C19 C20 121.6(4) . . ?
O1 C14 C13 117.0(4) . . ?
N3 C14 O1 126.2(4) . . ?
N3 C14 C13 116.8(3) . . ?
C15 C16 C22 120.0(4) . . ?
C15 C16 C17 119.1(4) . . ?
C17 C16 C22 120.8(4) . . ?
C29 C28 Ru1 71.7(2) . . ?
C29 C28 C27 121.0(4) . . ?
C27 C28 Ru1 69.9(2) . . ?
C25 C24 Ru1 71.0(2) . . ?
C25 C24 C29 117.7(4) . . ?
C25 C24 C23 122.0(4) . . ?
C29 C24 Ru1 71.6(2) . . ?
C29 C24 C23 120.3(4) . . ?
C23 C24 Ru1 128.7(3) . . ?
N2 C13 C14 109.5(3) . . ?
C6 C7 C12 121.3(4) . . ?
C8 C7 C6 118.1(4) . . ?
C8 C7 C12 120.5(4) . . ?
C19 C18 C17 119.8(4) . . ?
C7 C8 C9 122.7(4) . . ?
C18 C17 C16 120.4(4) . . ?
C31 C30 C32 110.7(4) . . ?
C27 C30 C31 113.5(3) . . ?
C27 C30 C32 109.2(4) . . ?
C25 C26 Ru1 71.7(2) . . ?
C27 C26 Ru1 71.5(2) . . ?
C27 C26 C25 120.2(4) . . ?
C28 C27 Ru1 72.2(2) . . ?
C28 C27 C30 119.0(3) . . ?
C30 C27 Ru1 128.4(3) . . ?
C26 C27 Ru1 71.1(2) . . ?
C26 C27 C28 118.1(4) . . ?
C26 C27 C30 122.9(4) . . ?
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
Ru1 Cl1 2.4226(10) . ?
Ru1 O1 2.095(3) . ?
Ru1 C1 2.069(4) . ?
Ru1 C25 2.202(4) . ?
Ru1 C29 2.221(4) . ?
Ru1 C28 2.224(4) . ?
Ru1 C24 2.213(4) . ?
Ru1 C26 2.188(4) . ?
Ru1 C27 2.193(4) . ?
N1 C4 1.430(5) . ?
N1 C1 1.362(5) . ?
N1 C3 1.392(5) . ?
O1 C14 1.291(4) . ?
N3 C15 1.418(5) . ?
N3 C14 1.277(5) . ?
N2 C2 1.375(5) . ?
N2 C1 1.355(5) . ?
N2 C13 1.473(5) . ?
C5 C4 1.396(6) . ?
C5 C6 1.386(6) . ?
C5 C11 1.503(6) . ?
C2 C3 1.343(6) . ?
C4 C9 1.398(6) . ?
C6 C7 1.400(6) . ?
C9 C8 1.391(6) . ?
C9 C10 1.497(6) . ?
C25 C24 1.408(6) . ?
C25 C26 1.420(6) . ?
C15 C20 1.405(6) . ?
C15 C16 1.385(6) . ?
C20 C19 1.398(6) . ?
C20 C21 1.497(6) . ?
C29 C28 1.386(6) . ?
C29 C24 1.423(6) . ?
C19 C18 1.367(7) . ?
C14 C13 1.512(5) . ?
C16 C22 1.502(6) . ?
C16 C17 1.397(6) . ?
C28 C27 1.435(6) . ?
C24 C23 1.495(6) . ?
C7 C8 1.379(7) . ?
C7 C12 1.503(6) . ?
C18 C17 1.388(6) . ?
C31 C30 1.525(6) . ?
C30 C32 1.543(6) . ?
C30 C27 1.509(6) . ?
C26 C27 1.406(5) . ?
