#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:16:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180131 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/29/7102963.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_7102963
loop_
_publ_author_name
'Zhao, Jun-Feng'
'Zhao, Yu-Jun'
'Loh, Teck-Peng'
_publ_section_title
;
 Indium tribromide-promoted arene-terminated epoxy olefin cyclization.
;
_journal_issue                   11
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1353
_journal_page_last               1355
_journal_paper_doi               10.1039/b718337b
_journal_year                    2008
_chemical_formula_sum            'C22 H32 O'
_chemical_formula_weight         312.48
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.816(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   46.416(3)
_cell_length_b                   7.2645(4)
_cell_length_c                   10.9433(7)
_cell_measurement_reflns_used    6264
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.71
_cell_measurement_theta_min      2.70
_cell_volume                     3598.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0804
_diffrn_reflns_av_sigmaI/netI    0.0869
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            21178
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         0.90
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.9865
_exptl_absorpt_correction_T_min  0.9832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.097
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   2(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         6661
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1034
_refine_ls_R_factor_gt           0.0936
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1427P)²+14.3321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2570
_refine_ls_wR_factor_ref         0.2685
_reflns_number_gt                5755
_reflns_number_total             6661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b718337b.txt
_cod_data_source_block           ltp56m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7102963
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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 0.59444(10) 0.5518(7) 0.5112(5) 0.0252(11) Uani 1 1 d . . .
H1 H 0.5911 0.5043 0.5927 0.030 Uiso 1 1 calc R . .
C2 C 0.58172(11) 0.7501(7) 0.4927(5) 0.0247(10) Uani 1 1 d . . .
C3 C 0.59618(12) 0.8619(8) 0.6093(6) 0.0323(12) Uani 1 1 d . . .
H3A H 0.5902 0.9912 0.5968 0.048 Uiso 1 1 calc R . .
H3B H 0.6177 0.8526 0.6229 0.048 Uiso 1 1 calc R . .
H3C H 0.5898 0.8131 0.6825 0.048 Uiso 1 1 calc R . .
C4 C 0.58958(13) 0.8421(8) 0.3784(6) 0.0380(13) Uani 1 1 d . . .
H4A H 0.5798 0.9623 0.3642 0.057 Uiso 1 1 calc R . .
H4B H 0.5829 0.7642 0.3044 0.057 Uiso 1 1 calc R . .
H4C H 0.6110 0.8587 0.3935 0.057 Uiso 1 1 calc R . .
C5 C 0.54791(10) 0.7333(6) 0.4876(4) 0.0201(10) Uani 1 1 d . . .
H5 H 0.5468 0.6754 0.5694 0.024 Uiso 1 1 calc R . .
C6 C 0.53170(11) 0.9175(6) 0.4868(5) 0.0240(10) Uani 1 1 d . . .
H6A H 0.5437 1.0018 0.5489 0.029 Uiso 1 1 calc R . .
H6B H 0.5290 0.9750 0.4030 0.029 Uiso 1 1 calc R . .
C7 C 0.50149(11) 0.8883(6) 0.5188(5) 0.0222(10) Uani 1 1 d . . .
H7A H 0.4916 1.0091 0.5177 0.027 Uiso 1 1 calc R . .
H7B H 0.5046 0.8386 0.6050 0.027 Uiso 1 1 calc R . .
C8 C 0.46886(13) 0.8538(7) 0.3014(5) 0.0303(12) Uani 1 1 d . . .
H8A H 0.4556 0.7706 0.2446 0.045 Uiso 1 1 calc R . .
H8B H 0.4854 0.8883 0.2642 0.045 Uiso 1 1 calc R . .
H8C H 0.4580 0.9647 0.3153 0.045 Uiso 1 1 calc R . .
C9 C 0.48073(10) 0.7557(6) 0.4280(4) 0.0193(9) Uani 1 1 d . . .
C10 C 0.45410(10) 0.7051(8) 0.4825(4) 0.0244(11) Uani 1 1 d . . .
C11 C 0.43931(11) 0.8408(8) 0.5358(5) 0.0319(12) Uani 1 1 d . . .
H11 H 0.4460 0.9644 0.5370 0.038 Uiso 1 1 calc R . .
C12 C 0.41529(12) 0.8015(10) 0.5866(6) 0.0407(15) Uani 1 1 d . . .
H12 H 0.4059 0.8965 0.6233 0.049 Uiso 1 1 calc R . .
C13 C 0.40484(13) 0.6200(11) 0.5834(6) 0.0474(17) Uani 1 1 d . . .
H13 H 0.3887 0.5899 0.6198 0.057 Uiso 1 1 calc R . .
C14 C 0.41799(11) 0.4898(10) 0.5284(5) 0.0382(14) Uani 1 1 d . . .
H14 H 0.4103 0.3682 0.5249 0.046 Uiso 1 1 calc R . .
C15 C 0.44243(11) 0.5227(8) 0.4755(4) 0.0252(10) Uani 1 1 d . . .
C16 C 0.45594(12) 0.3692(8) 0.4173(5) 0.0310(12) Uani 1 1 d . . .
H16A H 0.4400 0.2992 0.3615 0.037 Uiso 1 1 calc R . .
H16B H 0.4659 0.2846 0.4844 0.037 Uiso 1 1 calc R . .
C17 C 0.47817(12) 0.4301(7) 0.3421(5) 0.0282(11) Uani 1 1 d . . .
H17A H 0.4677 0.4833 0.2611 0.034 Uiso 1 1 calc R . .
H17B H 0.4898 0.3230 0.3247 0.034 Uiso 1 1 calc R . .
C18 C 0.49892(10) 0.5757(6) 0.4187(4) 0.0181(9) Uani 1 1 d . . .
H18 H 0.5036 0.5256 0.5061 0.022 Uiso 1 1 calc R . .
C19 C 0.52974(11) 0.6003(6) 0.3860(4) 0.0200(10) Uani 1 1 d . . .
C20 C 0.52692(12) 0.6611(8) 0.2489(5) 0.0306(12) Uani 1 1 d . . .
H20A H 0.5086 0.6119 0.1971 0.046 Uiso 1 1 calc R . .
H20B H 0.5438 0.6143 0.2181 0.046 Uiso 1 1 calc R . .
H20C H 0.5266 0.7959 0.2443 0.046 Uiso 1 1 calc R . .
C21 C 0.54555(11) 0.4109(6) 0.4032(5) 0.0230(10) Uani 1 1 d . . .
H21A H 0.5426 0.3543 0.4818 0.028 Uiso 1 1 calc R . .
H21B H 0.5362 0.3294 0.3331 0.028 Uiso 1 1 calc R . .
C22 C 0.57901(12) 0.4218(7) 0.4080(5) 0.0287(11) Uani 1 1 d . . .
H22A H 0.5878 0.2975 0.4232 0.034 Uiso 1 1 calc R . .
H22B H 0.5821 0.4657 0.3262 0.034 Uiso 1 1 calc R . .
C23 C 0.17847(10) 0.9469(7) 0.3591(4) 0.0215(10) Uani 1 1 d . . .
H23 H 0.1797 0.9974 0.4451 0.026 Uiso 1 1 calc R . .
C24 C 0.19147(10) 0.7487(7) 0.3727(5) 0.0230(10) Uani 1 1 d . . .
C25 C 0.18633(13) 0.6499(8) 0.2462(6) 0.0350(13) Uani 1 1 d . . .
H25A H 0.1660 0.6042 0.2238 0.053 Uiso 1 1 calc R . .
H25B H 0.2001 0.5462 0.2520 0.053 Uiso 1 1 calc R . .
H25C H 0.1896 0.7360 0.1818 0.053 Uiso 1 1 calc R . .
C26 C 0.17492(12) 0.6415(7) 0.4573(5) 0.0320(12) Uani 1 1 d . . .
H26A H 0.1816 0.6833 0.5442 0.048 Uiso 1 1 calc R . .
H26B H 0.1790 0.5097 0.4523 0.048 Uiso 1 1 calc R . .
H26C H 0.1536 0.6635 0.4294 0.048 Uiso 1 1 calc R . .
C27 C 0.22510(9) 0.7708(6) 0.4408(4) 0.0172(9) Uani 1 1 d . . .
H27 H 0.2248 0.8320 0.5223 0.021 Uiso 1 1 calc R . .
C28 C 0.24123(11) 0.5878(6) 0.4772(5) 0.0218(10) Uani 1 1 d . . .
H28A H 0.2286 0.5053 0.5150 0.026 Uiso 1 1 calc R . .
H28B H 0.2450 0.5271 0.4012 0.026 Uiso 1 1 calc R . .
C29 C 0.27044(11) 0.6194(6) 0.5702(5) 0.0218(10) Uani 1 1 d . . .
H29A H 0.2803 0.4992 0.5922 0.026 Uiso 1 1 calc R . .
H29B H 0.2664 0.6733 0.6478 0.026 Uiso 1 1 calc R . .
C30 C 0.29178(10) 0.7490(6) 0.5192(4) 0.0185(9) Uani 1 1 d . . .
C31 C 0.30512(12) 0.6463(7) 0.4202(5) 0.0300(11) Uani 1 1 d . . .
H31A H 0.3179 0.5466 0.4610 0.045 Uiso 1 1 calc R . .
H31B H 0.3167 0.7327 0.3817 0.045 Uiso 1 1 calc R . .
H31C H 0.2891 0.5948 0.3554 0.045 Uiso 1 1 calc R . .
C32 C 0.31821(10) 0.8007(7) 0.6271(4) 0.0206(10) Uani 1 1 d . . .
C33 C 0.33176(11) 0.6671(7) 0.7117(5) 0.0264(11) Uani 1 1 d . . .
H33 H 0.3241 0.5454 0.7035 0.032 Uiso 1 1 calc R . .
C34 C 0.35614(11) 0.7047(8) 0.8078(5) 0.0312(12) Uani 1 1 d . . .
H34 H 0.3648 0.6099 0.8638 0.037 Uiso 1 1 calc R . .
C35 C 0.36775(12) 0.8825(9) 0.8215(6) 0.0377(13) Uani 1 1 d . . .
H35 H 0.3843 0.9109 0.8872 0.045 Uiso 1 1 calc R . .
C36 C 0.35455(11) 1.0181(8) 0.7365(5) 0.0295(11) Uani 1 1 d . . .
H36 H 0.3624 1.1395 0.7456 0.035 Uiso 1 1 calc R . .
C37 C 0.33022(10) 0.9807(7) 0.6386(5) 0.0233(10) Uani 1 1 d . . .
C38 C 0.31700(11) 1.1364(7) 0.5530(6) 0.0294(12) Uani 1 1 d . . .
H38A H 0.3331 1.2057 0.5281 0.035 Uiso 1 1 calc R . .
H38B H 0.3067 1.2216 0.5998 0.035 Uiso 1 1 calc R . .
C39 C 0.29512(11) 1.0719(7) 0.4348(5) 0.0248(11) Uani 1 1 d . . .
H39A H 0.3060 1.0172 0.3753 0.030 Uiso 1 1 calc R . .
H39B H 0.2836 1.1780 0.3933 0.030 Uiso 1 1 calc R . .
C40 C 0.27414(10) 0.9270(6) 0.4719(4) 0.0177(9) Uani 1 1 d . . .
H40 H 0.2687 0.9794 0.5482 0.021 Uiso 1 1 calc R . .
C41 C 0.24396(10) 0.9000(6) 0.3765(4) 0.0197(9) Uani 1 1 d . . .
C42 C 0.24851(13) 0.8351(8) 0.2475(5) 0.0294(11) Uani 1 1 d . . .
H42A H 0.2671 0.8850 0.2335 0.044 Uiso 1 1 calc R . .
H42B H 0.2321 0.8787 0.1814 0.044 Uiso 1 1 calc R . .
H42C H 0.2492 0.7003 0.2459 0.044 Uiso 1 1 calc R . .
C43 C 0.22782(11) 1.0892(6) 0.3566(5) 0.0233(10) Uani 1 1 d . . .
H43A H 0.2293 1.1481 0.4393 0.028 Uiso 1 1 calc R . .
H43B H 0.2382 1.1696 0.3071 0.028 Uiso 1 1 calc R . .
C44 C 0.19534(11) 1.0768(7) 0.2901(5) 0.0249(11) Uani 1 1 d . . .
H44A H 0.1938 1.0318 0.2034 0.030 Uiso 1 1 calc R . .
H44B H 0.1864 1.2009 0.2853 0.030 Uiso 1 1 calc R . .
O1 O 0.62570(8) 0.5460(6) 0.5162(4) 0.0396(10) Uani 1 1 d . . .
H1A H 0.6285 0.5441 0.4431 0.059 Uiso 1 1 calc R . .
O2 O 0.14767(8) 0.9468(6) 0.2936(4) 0.0348(9) Uani 1 1 d . . .
H2 H 0.1445 1.0364 0.2439 0.052 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'
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
O1 C1 C22 108.3(4) . . ?
O1 C1 C2 112.5(4) . . ?
C22 C1 C2 112.1(4) . . ?
C4 C2 C3 108.0(4) . . ?
C4 C2 C1 111.0(4) . . ?
C3 C2 C1 107.4(4) . . ?
C4 C2 C5 115.1(4) . . ?
C3 C2 C5 108.7(4) . . ?
C1 C2 C5 106.4(4) . . ?
C6 C5 C2 114.8(4) . . ?
C6 C5 C19 110.3(4) . . ?
C2 C5 C19 116.8(4) . . ?
C7 C6 C5 110.5(4) . . ?
C6 C7 C9 114.1(4) . . ?
C10 C9 C8 107.5(4) . . ?
C10 C9 C7 109.8(4) . . ?
C8 C9 C7 109.5(4) . . ?
C10 C9 C18 108.5(4) . . ?
C8 C9 C18 114.5(4) . . ?
C7 C9 C18 106.9(4) . . ?
C11 C10 C15 117.4(5) . . ?
C11 C10 C9 120.4(5) . . ?
C15 C10 C9 122.1(4) . . ?
C12 C11 C10 122.4(6) . . ?
C11 C12 C13 119.3(6) . . ?
C14 C13 C12 119.0(6) . . ?
C13 C14 C15 123.8(6) . . ?
C14 C15 C10 117.9(5) . . ?
C14 C15 C16 120.3(5) . . ?
C10 C15 C16 121.8(5) . . ?
C15 C16 C17 114.4(5) . . ?
C16 C17 C18 108.7(4) . . ?
C17 C18 C19 116.5(4) . . ?
C17 C18 C9 109.0(4) . . ?
C19 C18 C9 116.9(4) . . ?
C20 C19 C21 107.9(4) . . ?
C20 C19 C18 111.9(4) . . ?
C21 C19 C18 107.7(4) . . ?
C20 C19 C5 115.4(4) . . ?
C21 C19 C5 107.1(4) . . ?
C18 C19 C5 106.5(3) . . ?
C22 C21 C19 113.8(4) . . ?
C1 C22 C21 111.1(4) . . ?
O2 C23 C44 108.2(4) . . ?
O2 C23 C24 111.5(4) . . ?
C44 C23 C24 112.8(4) . . ?
C25 C24 C26 108.0(4) . . ?
C25 C24 C23 111.6(4) . . ?
C26 C24 C23 106.9(4) . . ?
C25 C24 C27 114.4(4) . . ?
C26 C24 C27 109.9(4) . . ?
C23 C24 C27 105.8(4) . . ?
C28 C27 C41 110.5(4) . . ?
C28 C27 C24 114.1(4) . . ?
C41 C27 C24 116.4(4) . . ?
C29 C28 C27 110.8(4) . . ?
C28 C29 C30 113.3(4) . . ?
C32 C30 C31 106.1(4) . . ?
C32 C30 C40 108.8(4) . . ?
C31 C30 C40 115.4(4) . . ?
C32 C30 C29 109.4(4) . . ?
C31 C30 C29 110.1(4) . . ?
C40 C30 C29 107.0(3) . . ?
C33 C32 C37 118.3(4) . . ?
C33 C32 C30 120.2(4) . . ?
C37 C32 C30 121.4(4) . . ?
C34 C33 C32 122.5(5) . . ?
C33 C34 C35 119.6(5) . . ?
C34 C35 C36 118.6(5) . . ?
C35 C36 C37 122.2(5) . . ?
C36 C37 C32 118.8(5) . . ?
C36 C37 C38 118.5(5) . . ?
C32 C37 C38 122.6(4) . . ?
C37 C38 C39 113.4(4) . . ?
C38 C39 C40 108.9(4) . . ?
C39 C40 C30 109.7(4) . . ?
C39 C40 C41 115.7(4) . . ?
C30 C40 C41 116.4(4) . . ?
C42 C41 C27 115.7(4) . . ?
C42 C41 C43 107.5(4) . . ?
C27 C41 C43 107.1(4) . . ?
C42 C41 C40 111.4(4) . . ?
C27 C41 C40 106.6(4) . . ?
C43 C41 C40 108.3(4) . . ?
C44 C43 C41 114.1(4) . . ?
C43 C44 C23 111.2(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
C1 O1 1.440(6) . ?
C1 C22 1.524(7) . ?
C1 C2 1.553(7) . ?
C2 C4 1.531(8) . ?
C2 C3 1.536(7) . ?
C2 C5 1.563(7) . ?
C5 C6 1.534(6) . ?
C5 C19 1.570(6) . ?
C6 C7 1.534(7) . ?
C7 C9 1.555(6) . ?
C8 C9 1.547(7) . ?
C9 C10 1.532(7) . ?
C9 C18 1.572(6) . ?
C10 C11 1.400(7) . ?
C10 C15 1.427(8) . ?
C11 C12 1.381(8) . ?
C12 C13 1.403(10) . ?
C13 C14 1.339(9) . ?
C14 C15 1.403(7) . ?
C15 C16 1.490(8) . ?
C16 C17 1.521(8) . ?
C17 C18 1.546(7) . ?
C18 C19 1.560(7) . ?
C19 C20 1.541(7) . ?
C19 C21 1.551(6) . ?
C21 C22 1.544(7) . ?
C23 O2 1.450(6) . ?
C23 C44 1.529(7) . ?
C23 C24 1.556(7) . ?
C24 C25 1.530(8) . ?
C24 C26 1.539(7) . ?
C24 C27 1.582(6) . ?
C27 C28 1.534(6) . ?
C27 C41 1.554(6) . ?
C28 C29 1.521(7) . ?
C29 C30 1.557(6) . ?
C30 C32 1.548(7) . ?
C30 C31 1.553(7) . ?
C30 C40 1.556(6) . ?
C32 C33 1.392(7) . ?
C32 C37 1.416(7) . ?
C33 C34 1.390(7) . ?
C34 C35 1.395(8) . ?
C35 C36 1.399(8) . ?
C36 C37 1.400(7) . ?
C37 C38 1.509(7) . ?
C38 C39 1.530(8) . ?
C39 C40 1.548(6) . ?
C40 C41 1.563(6) . ?
C41 C42 1.546(7) . ?
C41 C43 1.557(6) . ?
C43 C44 1.525(7) . ?
