#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:33:43 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178608 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/19/4071950.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_4071950
loop_
_publ_author_name
'Wu, Jincai'
'Chen, Yi-Zhen'
'Hung, Wen-Chou'
'Lin, Chu-Chieh'
_publ_section_title
;
 Preparation, Characterization, and Catalytic Studies of Magnesium
 Phenoxides: Highly Active Initiators for Ring-Opening Polymerization
 ofl-Lactide
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4970
_journal_paper_doi               10.1021/om800482j
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C46 H47 Mg O5 S'
_chemical_formula_weight         736.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 110.5490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   35.524(2)
_cell_length_b                   18.9707(13)
_cell_length_c                   14.2179(9)
_cell_measurement_reflns_used    4235
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.422
_cell_measurement_theta_min      2.212
_cell_volume                     8972.0(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0801
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24407
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    0.126
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.580
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3128
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     490
_refine_ls_number_reflns         8832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.1387
_refine_ls_R_factor_gt           0.0616
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1627
_refine_ls_wR_factor_ref         0.1997
_reflns_number_gt                4231
_reflns_number_total             8832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800482j_si_006.cif
_cod_data_source_block           qyw2m
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        8971.9(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4071950
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'
'-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
Mg1 Mg 0.28821(3) 0.78480(6) 0.04419(8) 0.0499(3) Uani 1 1 d .
S1 S 0.33458(3) 0.87344(4) -0.09428(6) 0.0472(2) Uani 1 1 d .
O1 O 0.32742(7) 0.79726(13) 0.16760(16) 0.0618(7) Uani 1 1 d .
O2 O 0.37512(6) 0.83197(11) -0.06927(15) 0.0466(5) Uani 1 1 d .
O3 O 0.30952(7) 0.83842(12) -0.04917(16) 0.0570(6) Uani 1 1 d .
O4 O 0.31864(8) 0.88469(13) -0.19901(16) 0.0670(7) Uani 1 1 d .
O5 O 0.26789(7) 0.69445(12) -0.01514(16) 0.0551(6) Uani 1 1 d .
C1 C 0.35959(10) 0.78486(17) 0.2494(2) 0.0476(8) Uani 1 1 d .
C2 C 0.35597(10) 0.76125(18) 0.3402(2) 0.0517(9) Uani 1 1 d .
C3 C 0.39112(11) 0.74749(18) 0.4199(2) 0.0528(9) Uani 1 1 d .
H3A H 0.3888 0.7314 0.4794 0.063 Uiso 1 1 calc R
C4 C 0.42956(10) 0.75601(18) 0.4175(2) 0.0515(9) Uani 1 1 d .
C5 C 0.43171(10) 0.78081(18) 0.3273(2) 0.0529(9) Uani 1 1 d .
H5A H 0.4569 0.7881 0.3226 0.063 Uiso 1 1 calc R
C6 C 0.39783(9) 0.79509(17) 0.2444(2) 0.0451(8) Uani 1 1 d .
C7 C 0.40048(10) 0.81639(17) 0.1437(2) 0.0460(8) Uani 1 1 d .
H7A H 0.3783 0.8492 0.1121 0.055 Uiso 1 1 calc R
C8 C 0.39471(9) 0.75347(17) 0.0731(2) 0.0439(8) Uani 1 1 d .
C9 C 0.40419(10) 0.68572(18) 0.1110(2) 0.0525(9) Uani 1 1 d .
H9A H 0.4116 0.6788 0.1799 0.063 Uiso 1 1 calc R
C10 C 0.40302(11) 0.62873(18) 0.0511(3) 0.0550(9) Uani 1 1 d .
C11 C 0.39209(11) 0.64043(18) -0.0512(3) 0.0556(9) Uani 1 1 d .
H11A H 0.3917 0.6019 -0.0919 0.067 Uiso 1 1 calc R
C12 C 0.38163(10) 0.70570(17) -0.0970(2) 0.0460(8) Uani 1 1 d .
C13 C 0.38250(9) 0.76082(16) -0.0309(2) 0.0417(7) Uani 1 1 d .
C14 C 0.35101(10) 0.95428(18) -0.0351(3) 0.0548(9) Uani 1 1 d .
C15 C 0.37112(14) 0.9983(2) -0.0797(3) 0.0829(13) Uani 1 1 d .
H15A H 0.3754 0.9845 -0.1379 0.100 Uiso 1 1 calc R
C16 C 0.38477(17) 1.0631(3) -0.0363(5) 0.1160(19) Uani 1 1 d .
H16A H 0.3985 1.0934 -0.0642 0.139 Uiso 1 1 calc R
C17 C 0.37748(18) 1.0811(3) 0.0488(5) 0.1119(19) Uani 1 1 d .
H17A H 0.3868 1.1244 0.0788 0.134 Uiso 1 1 calc R
C18 C 0.35705(16) 1.0384(3) 0.0916(4) 0.0973(15) Uani 1 1 d .
H18A H 0.3523 1.0529 0.1488 0.117 Uiso 1 1 calc R
C19 C 0.34359(12) 0.9736(2) 0.0491(3) 0.0701(11) Uani 1 1 d .
H19A H 0.3297 0.9437 0.0773 0.084 Uiso 1 1 calc R
C20 C 0.31426(12) 0.7513(3) 0.3486(3) 0.0720(12) Uani 1 1 d .
C21 C 0.29070(13) 0.8210(3) 0.3243(3) 0.1060(18) Uani 1 1 d .
H21A H 0.2881 0.8361 0.2579 0.159 Uiso 1 1 calc R
H21B H 0.3048 0.8563 0.3721 0.159 Uiso 1 1 calc R
H21C H 0.2644 0.8141 0.3278 0.159 Uiso 1 1 calc R
C22 C 0.29159(14) 0.6920(3) 0.2781(3) 0.1006(17) Uani 1 1 d .
H22A H 0.2887 0.7038 0.2102 0.151 Uiso 1 1 calc R
H22B H 0.2655 0.6864 0.2830 0.151 Uiso 1 1 calc R
H22C H 0.3064 0.6488 0.2969 0.151 Uiso 1 1 calc R
C23 C 0.31765(14) 0.7294(3) 0.4562(3) 0.1085(19) Uani 1 1 d .
H23A H 0.3312 0.7658 0.5027 0.163 Uiso 1 1 calc R
H23B H 0.3326 0.6863 0.4741 0.163 Uiso 1 1 calc R
H23C H 0.2912 0.7225 0.4586 0.163 Uiso 1 1 calc R
C24 C 0.46721(12) 0.7371(2) 0.5068(3) 0.0745(12) Uani 1 1 d .
C28 C 0.41446(14) 0.5547(2) 0.0945(3) 0.0788(12) Uani 1 1 d .
C29 C 0.4153(3) 0.5499(3) 0.2022(5) 0.205(4) Uani 1 1 d .
H29A H 0.4337 0.5845 0.2427 0.308 Uiso 1 1 calc R
H29B H 0.4240 0.5037 0.2284 0.308 Uiso 1 1 calc R
H29C H 0.3889 0.5587 0.2035 0.308 Uiso 1 1 calc R
C30 C 0.45630(18) 0.5382(3) 0.0941(7) 0.191(4) Uani 1 1 d .
H30A H 0.4561 0.5401 0.0265 0.287 Uiso 1 1 calc R
H30B H 0.4641 0.4919 0.1210 0.287 Uiso 1 1 calc R
H30C H 0.4750 0.5722 0.1345 0.287 Uiso 1 1 calc R
C31 C 0.38566(17) 0.4992(2) 0.0336(4) 0.125(2) Uani 1 1 d .
H31A H 0.3848 0.5007 -0.0346 0.188 Uiso 1 1 calc R
H31B H 0.3593 0.5082 0.0352 0.188 Uiso 1 1 calc R
H31C H 0.3946 0.4535 0.0616 0.188 Uiso 1 1 calc R
C32 C 0.37018(11) 0.71238(19) -0.2117(2) 0.0565(9) Uani 1 1 d .
C33 C 0.38449(17) 0.6484(2) -0.2556(3) 0.1020(17) Uani 1 1 d .
H33A H 0.3732 0.6063 -0.2391 0.153 Uiso 1 1 calc R
H33B H 0.4133 0.6457 -0.2278 0.153 Uiso 1 1 calc R
H33C H 0.3760 0.6531 -0.3272 0.153 Uiso 1 1 calc R
C34 C 0.32446(12) 0.7157(2) -0.2601(3) 0.0784(12) Uani 1 1 d .
H34A H 0.3146 0.7557 -0.2344 0.118 Uiso 1 1 calc R
H34B H 0.3130 0.6734 -0.2449 0.118 Uiso 1 1 calc R
H34C H 0.3171 0.7202 -0.3316 0.118 Uiso 1 1 calc R
C35 C 0.38948(12) 0.7762(2) -0.2417(3) 0.0706(11) Uani 1 1 d .
H35A H 0.3816 0.8183 -0.2159 0.106 Uiso 1 1 calc R
H35B H 0.3807 0.7790 -0.3136 0.106 Uiso 1 1 calc R
H35C H 0.4182 0.7716 -0.2146 0.106 Uiso 1 1 calc R
C36 C 0.43978(11) 0.8548(2) 0.1525(3) 0.0669(11) Uani 1 1 d .
H36A H 0.4393 0.8674 0.0867 0.100 Uiso 1 1 calc R
H36B H 0.4622 0.8244 0.1842 0.100 Uiso 1 1 calc R
H36C H 0.4422 0.8967 0.1921 0.100 Uiso 1 1 calc R
C37 C 0.28930(16) 0.6385(2) -0.0369(5) 0.1062(17) Uani 1 1 d .
H37A H 0.3174 0.6431 0.0049 0.127 Uiso 1 1 calc R
H37B H 0.2875 0.6425 -0.1063 0.127 Uiso 1 1 calc R
C38 C 0.27515(11) 0.5673(2) -0.0213(3) 0.0634(10) Uani 1 1 d .
C39 C 0.26107(15) 0.5211(3) -0.0993(4) 0.0987(15) Uani 1 1 d .
H39A H 0.2592 0.5354 -0.1634 0.118 Uiso 1 1 calc R
C40 C 0.24940(19) 0.4526(4) -0.0847(6) 0.128(2) Uani 1 1 d .
H40A H 0.2402 0.4206 -0.1374 0.154 Uiso 1 1 calc R
C41 C 0.2521(2) 0.4355(3) 0.0080(8) 0.137(3) Uani 1 1 d .
H41A H 0.2452 0.3898 0.0193 0.164 Uiso 1 1 calc R
C42 C 0.2639(2) 0.4790(4) 0.0847(5) 0.138(2) Uani 1 1 d .
H42A H 0.2643 0.4651 0.1477 0.166 Uiso 1 1 calc R
C43 C 0.27557(17) 0.5447(3) 0.0693(4) 0.1037(16) Uani 1 1 d .
H43A H 0.2842 0.5757 0.1234 0.124 Uiso 1 1 calc R
C27 C 0.4642(4) 0.6558(7) 0.5278(14) 0.134(5) Uani 0.50 1 d P
C25 C 0.5051(2) 0.7470(8) 0.4899(7) 0.075(3) Uani 0.50 1 d P
C26 C 0.4674(3) 0.7788(9) 0.6001(7) 0.094(4) Uani 0.50 1 d P
C25' C 0.4926(5) 0.8089(9) 0.5361(14) 0.193(9) Uani 0.50 1 d P
C27' C 0.4935(7) 0.6884(15) 0.4713(12) 0.213(12) Uani 0.50 1 d P
C26' C 0.4587(4) 0.7160(12) 0.5998(9) 0.138(6) Uani 0.50 1 d P
C46 C 0.4594(6) 1.0315(9) 0.3422(14) 0.336(7) Uiso 1 1 d .
C47 C 0.4804(9) 1.0402(12) 0.280(2) 0.513(17) Uiso 1 1 d .
C48 C 0.4927(5) 0.9963(8) 0.4546(9) 0.288(6) 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 0.0033 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'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
O1 Mg1 O5 124.04(12) . 7_565
O1 Mg1 O5 125.00(12) . .
O5 Mg1 O5 83.57(11) 7_565 .
O1 Mg1 O3 103.31(11) . .
O5 Mg1 O3 110.74(10) 7_565 .
O5 Mg1 O3 109.17(11) . .
O1 Mg1 Mg1 139.46(10) . 7_565
O5 Mg1 Mg1 41.87(7) 7_565 7_565
O5 Mg1 Mg1 41.71(7) . 7_565
O3 Mg1 Mg1 117.23(9) . 7_565
O4 S1 O3 117.46(15) . .
O4 S1 O2 108.15(14) . .
O3 S1 O2 109.38(13) . .
O4 S1 C14 108.52(16) . .
O3 S1 C14 110.30(16) . .
O2 S1 C14 101.89(14) . .
C1 O1 Mg1 160.4(2) . .
C13 O2 S1 125.78(18) . .
S1 O3 Mg1 164.78(16) . .
C37 O5 Mg1 135.0(3) . 7_565
C37 O5 Mg1 128.2(3) . .
Mg1 O5 Mg1 96.43(11) 7_565 .
O1 C1 C6 118.8(3) . .
O1 C1 C2 121.8(3) . .
C6 C1 C2 119.4(3) . .
C3 C2 C1 117.5(3) . .
C3 C2 C20 122.0(3) . .
C1 C2 C20 120.5(3) . .
C4 C3 C2 124.8(3) . .
C3 C4 C5 115.8(3) . .
C3 C4 C24 122.3(3) . .
C5 C4 C24 121.9(3) . .
C6 C5 C4 122.6(3) . .
C5 C6 C1 119.9(3) . .
C5 C6 C7 122.1(3) . .
C1 C6 C7 117.8(3) . .
C6 C7 C8 111.9(3) . .
C6 C7 C36 113.7(3) . .
C8 C7 C36 109.4(3) . .
C9 C8 C13 116.5(3) . .
C9 C8 C7 120.7(3) . .
C13 C8 C7 122.6(3) . .
C10 C9 C8 122.7(3) . .
C9 C10 C11 117.6(3) . .
C9 C10 C28 121.9(3) . .
C11 C10 C28 120.4(3) . .
C10 C11 C12 124.5(3) . .
C11 C12 C13 114.3(3) . .
C11 C12 C32 119.9(3) . .
C13 C12 C32 125.8(3) . .
C8 C13 C12 124.3(3) . .
C8 C13 O2 116.2(3) . .
C12 C13 O2 119.1(3) . .
C19 C14 C15 121.8(4) . .
C19 C14 S1 121.6(3) . .
C15 C14 S1 116.6(3) . .
C14 C15 C16 119.1(4) . .
C17 C16 C15 118.2(5) . .
C18 C17 C16 122.7(5) . .
C17 C18 C19 119.4(5) . .
C14 C19 C18 118.7(4) . .
C22 C20 C2 109.8(3) . .
C22 C20 C21 111.3(4) . .
C2 C20 C21 109.9(3) . .
C22 C20 C23 106.8(4) . .
C2 C20 C23 111.5(3) . .
C21 C20 C23 107.5(4) . .
C25 C24 C26' 131.1(7) . .
C25 C24 C27' 46.7(11) . .
C26' C24 C27' 117.8(12) . .
C25 C24 C4 115.0(5) . .
C26' C24 C4 113.7(6) . .
C27' C24 C4 109.2(6) . .
C25 C24 C26 110.4(7) . .
C26' C24 C26 47.5(8) . .
C27' C24 C26 141.2(8) . .
C4 C24 C26 109.4(5) . .
C25 C24 C27 106.5(8) . .
C26' C24 C27 61.9(9) . .
C27' C24 C27 63.9(11) . .
C4 C24 C27 106.7(5) . .
C26 C24 C27 108.6(9) . .
C25 C24 C25' 57.8(9) . .
C26' C24 C25' 105.3(11) . .
C27' C24 C25' 104.3(14) . .
C4 C24 C25' 105.3(5) . .
C26 C24 C25' 60.6(9) . .
C27 C24 C25' 147.9(7) . .
C31 C28 C30 108.8(5) . .
C31 C28 C29 107.8(5) . .
C30 C28 C29 108.4(5) . .
C31 C28 C10 112.2(4) . .
C30 C28 C10 108.0(4) . .
C29 C28 C10 111.6(4) . .
C35 C32 C34 110.6(3) . .
C35 C32 C33 105.6(3) . .
C34 C32 C33 107.6(3) . .
C35 C32 C12 112.6(3) . .
C34 C32 C12 109.0(3) . .
C33 C32 C12 111.4(3) . .
O5 C37 C38 114.7(3) . .
C43 C38 C39 116.7(4) . .
C43 C38 C37 122.6(4) . .
C39 C38 C37 120.7(4) . .
C38 C39 C40 121.3(5) . .
C41 C40 C39 116.8(6) . .
C42 C41 C40 124.2(7) . .
C41 C42 C43 118.1(6) . .
C38 C43 C42 122.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg1 O1 1.833(2) .
Mg1 O5 1.929(3) 7_565
Mg1 O5 1.935(2) .
Mg1 O3 2.019(2) .
Mg1 Mg1 2.881(2) 7_565
S1 O4 1.411(2) .
S1 O3 1.430(2) .
S1 O2 1.568(2) .
S1 C14 1.748(4) .
O1 C1 1.334(4) .
O2 C13 1.445(4) .
O5 C37 1.402(5) .
O5 Mg1 1.929(3) 7_565
C1 C6 1.399(4) .
C1 C2 1.416(4) .
C2 C3 1.385(4) .
C2 C20 1.539(5) .
C3 C4 1.387(5) .
C4 C5 1.393(4) .
C4 C24 1.529(5) .
C5 C6 1.384(4) .
C6 C7 1.522(4) .
C7 C8 1.526(4) .
C7 C36 1.541(4) .
C8 C9 1.389(4) .
C8 C13 1.394(4) .
C9 C10 1.368(5) .
C10 C11 1.385(5) .
C10 C28 1.531(5) .
C11 C12 1.388(4) .
C12 C13 1.399(4) .
C12 C32 1.540(4) .
C14 C19 1.363(5) .
C14 C15 1.388(5) .
C15 C16 1.383(6) .
C16 C17 1.366(7) .
C17 C18 1.365(7) .
C18 C19 1.379(6) .
C20 C22 1.533(6) .
C20 C21 1.538(6) .
C20 C23 1.549(5) .
C24 C25 1.460(9) .
C24 C26' 1.511(12) .
C24 C27' 1.520(14) .
C24 C26 1.543(11) .
C24 C27 1.582(11) .
C24 C25' 1.606(14) .
C28 C31 1.510(6) .
C28 C30 1.520(7) .
C28 C29 1.525(7) .
C32 C35 1.525(5) .
C32 C34 1.527(5) .
C32 C33 1.531(5) .
C37 C38 1.485(5) .
C38 C43 1.353(6) .
C38 C39 1.363(6) .
C39 C40 1.402(8) .
C40 C41 1.327(8) .
C41 C42 1.314(8) .
C42 C43 1.355(7) .
C46 C47 1.35(2) .
C48 C48 1.22(2) 5_676
