#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/10/85/4108531.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_4108531
loop_
_publ_author_name
'Rudolf Knorr'
'Thomas Menke'
'Kathrin Ferchland'
'Johann Mehlstäubl'
'David S. Stephenson'
_publ_section_title
;
 Microsolvation and 13C-Li NMR Coupling
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              14179
_journal_page_last               14188
_journal_paper_doi               10.1021/ja8026828
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C55 H66 Li2 O2'
_chemical_formula_weight         772.96
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.01(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.465(4)
_cell_length_b                   9.769(3)
_cell_length_c                   25.461(6)
_cell_measurement_temperature    173
_cell_volume                     4697(2)
_computing_cell_refinement       'XSCANS (Ver. 2.00)'
_computing_data_collection       'XSCANS (Ver. 2.00)'
_computing_data_reduction        'XSCANS (Ver. 2.00)'
_computing_molecular_graphics    'XP (SHELXTL-Plus)'
_computing_publication_material  'SHELXL (Sheldrick 1993)'
_computing_structure_refinement  'SHELXL (Sheldrick 1993)'
_computing_structure_solution    'XS (Siemens)'
_diffrn_ambient_temperature      173
_diffrn_measurement_device       P4
_diffrn_measurement_method       ω
_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  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0770
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            5752
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         1.65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.063
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.093
_exptl_crystal_description       plate
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.315
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.038
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.016
_refine_ls_goodness_of_fit_obs   1.090
_refine_ls_hydrogen_treatment    'riding model, fixed isotropic U'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_restrained_S_obs      1.090
_refine_ls_R_factor_all          0.1207
_refine_ls_R_factor_obs          0.0548
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0635P)²+2.5397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1529
_refine_ls_wR_factor_obs         0.1187
_reflns_number_observed          1816
_reflns_number_total             3212
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja8026828_si_003.cif
_cod_data_source_block           knorr3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+2.5397P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0635P)^2^+2.5397P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'direct methods' was changed to
'direct'.

'_atom_sites_solution_hydrogens' value 'geometrically' was changed to
'geom'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        4697.5(21)
_cod_database_code               4108531
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Li1 Li 0.7946(3) -0.3333(7) 0.5238(2) 0.053(2) Uani 1 d .
O1 O 0.87961(12) -0.4377(3) 0.55091(9) 0.0564(7) Uani 1 d .
C1 C 0.8528(2) 0.0132(4) 0.63720(12) 0.0386(8) Uani 1 d .
C2 C 0.8019(2) -0.0885(3) 0.59937(12) 0.0335(8) Uani 1 d .
C3 C 0.7569(2) -0.1636(4) 0.63346(12) 0.0383(9) Uani 1 d .
C4 C 0.7756(2) -0.1647(4) 0.73869(13) 0.0526(10) Uani 1 d .
H4A H 0.7417(2) -0.2365(4) 0.73773(13) 0.063 Uiso 1 d R
C5 C 0.8121(2) -0.1117(4) 0.78768(14) 0.0613(11) Uani 1 d .
H5A H 0.7990(2) -0.1339(4) 0.82065(14) 0.074 Uiso 1 d R
C6 C 0.8645(2) -0.0146(4) 0.78960(13) 0.0606(11) Uani 1 d .
H6A H 0.8900(2) 0.0196(4) 0.82417(13) 0.073 Uiso 1 d R
C7 C 0.8811(2) 0.0299(4) 0.74269(13) 0.0517(10) Uani 1 d .
H7A H 0.9186(2) 0.0947(4) 0.74435(13) 0.062 Uiso 1 d R
C8 C 0.8442(2) -0.0239(4) 0.69301(12) 0.0400(9) Uani 1 d .
C9 C 0.7913(2) -0.1206(4) 0.69111(12) 0.0415(9) Uani 1 d .
C10 C 0.8282(2) 0.1629(4) 0.62480(14) 0.0611(11) Uani 1 d .
H10A H 0.8295(2) 0.1854(4) 0.58837(14) 0.073 Uiso 1 d R
H10B H 0.8591(2) 0.2233(4) 0.64951(14) 0.073 Uiso 1 d R
H10C H 0.7807(2) 0.1730(4) 0.62886(14) 0.073 Uiso 1 d R
C11 C 0.9299(2) 0.0005(4) 0.63426(14) 0.0581(11) Uani 1 d .
H11A H 0.9463(2) -0.0909(4) 0.64386(14) 0.070 Uiso 1 d R
H11B H 0.9583(2) 0.0643(4) 0.65896(14) 0.070 Uiso 1 d R
H11C H 0.9335(2) 0.0202(4) 0.59809(14) 0.070 Uiso 1 d R
C12 C 0.7569(2) -0.3188(4) 0.62768(14) 0.0520(10) Uani 1 d .
H12A H 0.7331(2) -0.3649(4) 0.65496(14) 0.050 Uiso 1 d R
H12C H 0.7323(2) -0.3440(4) 0.59458(14) 0.050 Uiso 1 d R
H12B H 0.8059(2) -0.3568(4) 0.63570(14) 0.050 Uiso 1 d R
C13 C 0.6796(2) -0.1128(4) 0.61787(13) 0.0541(11) Uani 1 d .
H13A H 0.6586(2) -0.1357(4) 0.58078(13) 0.065 Uiso 1 d R
H13B H 0.6787(2) -0.0153(4) 0.62239(13) 0.065 Uiso 1 d R
H13C H 0.6533(2) -0.1558(4) 0.64076(13) 0.065 Uiso 1 d R
C14 C 0.7940(2) -0.1145(3) 0.54636(12) 0.0345(8) Uani 1 d .
C15 C 0.8335(2) -0.0411(3) 0.51222(11) 0.0337(8) Uani 1 d .
C16 C 0.8914(2) -0.0993(4) 0.49649(12) 0.0414(9) Uani 1 d .
H16A H 0.9061(2) -0.1809(4) 0.51252(12) 0.023 Uiso 1 d R
C17 C 0.9238(2) -0.0396(4) 0.45983(13) 0.0503(10) Uani 1 d .
H17A H 0.9654(2) -0.0811(4) 0.45294(13) 0.060 Uiso 1 d R
C18 C 0.8994(2) 0.0833(5) 0.43605(14) 0.0544(10) Uani 1 d .
H18A H 0.9201(2) 0.1210(5) 0.40865(14) 0.065 Uiso 1 d R
C19 C 0.8418(2) 0.1441(4) 0.44919(13) 0.0545(11) Uani 1 d .
H19A H 0.8240(2) 0.2303(4) 0.43345(13) 0.065 Uiso 1 d R
C20 C 0.8092(2) 0.0828(4) 0.48614(12) 0.0428(9) Uani 1 d .
H20A H 0.7693(2) 0.1261(4) 0.49511(12) 0.051 Uiso 1 d R
C21 C 0.8987(2) -0.5614(4) 0.5284(2) 0.0685(12) Uani 1 d .
H21A H 0.9007(2) -0.5469(4) 0.4915(2) 0.082 Uiso 1 d R
H21B H 0.8643(2) -0.6313(4) 0.5294(2) 0.082 Uiso 1 d R
C22 C 0.9706(2) -0.6015(5) 0.5611(2) 0.089(2) Uani 1 d .
H22A H 0.9673 -0.6771 0.5844 0.107 Uiso 1 d .
H22B H 1.0029 -0.6240 0.5393 0.107 Uiso 1 d .
C23 C 0.9943(3) -0.4795(8) 0.5964(2) 0.136(3) Uani 1 d .
H23A H 1.0245 -0.5023 0.6310 0.163 Uiso 1 d .
H23B H 1.0205 -0.4225 0.5775 0.163 Uiso 1 d .
C24 C 0.9323(2) -0.4095(5) 0.6002(2) 0.090(2) Uani 1 d .
H24A H 0.9173 -0.4419 0.6313 0.108 Uiso 1 d .
H24B H 0.9411 -0.3129 0.6037 0.108 Uiso 1 d .
C25 C 0.4603(6) -0.0078(13) 0.2490(3) 0.052(2) Uani 0.50 d P
C26 C 0.4829(4) -0.1431(17) 0.2468(13) 0.050(7) Uani 0.50 d P
H26A H 0.4503(4) -0.2172(17) 0.2462(13) 0.060 Uiso 0.50 d PR
C27 C 0.5522(8) -0.1624(18) 0.2440(6) 0.061(5) Uani 0.50 d P
H27A H 0.5670(8) -0.2558(18) 0.2427(6) 0.073 Uiso 0.50 d PR
C28 C 0.5995(8) -0.0664(14) 0.2442(4) 0.065(4) Uani 0.50 d P
H28A H 0.6468(8) -0.0862(14) 0.2416(4) 0.078 Uiso 0.50 d PR
C29 C 0.5782(8) 0.0648(20) 0.2482(5) 0.069(4) Uani 0.50 d P
H29A H 0.6105(8) 0.1392(20) 0.2485(5) 0.083 Uiso 0.50 d PR
C30 C 0.5070(20) 0.0935(12) 0.2532(18) 0.070(6) Uani 0.50 d P
H30A H 0.4927(20) 0.1863(12) 0.2571(18) 0.083 Uiso 0.50 d PR
C31 C 0.3853(10) 0.0272(24) 0.2510(7) 0.088(6) Uani 0.50 d P
H31A H 0.3745(10) -0.0137(24) 0.2823(7) 0.106 Uiso 0.50 d PR
H31B H 0.3528(10) -0.0060(24) 0.2190(7) 0.106 Uiso 0.50 d PR
H31C H 0.3812(10) 0.1249(24) 0.2529(7) 0.106 Uiso 0.50 d PR
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'
Li Li -0.0003 0.0001 '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
O1 Li1 C14 118.5(3) . .
O1 Li1 C14 126.8(3) . 7_646
C14 Li1 C14 112.2(3) . 7_646
O1 Li1 H12C 104.7(3) . .
C14 Li1 H12C 79.2(2) . .
C14 Li1 H12C 99.1(3) 7_646 .
O1 Li1 Li1 164.9(5) . 7_646
C14 Li1 Li1 56.3(3) . 7_646
C14 Li1 Li1 56.0(2) 7_646 7_646
H12C Li1 Li1 88.5(3) . 7_646
O1 Li1 H16A 71.8(2) . .
C14 Li1 H16A 63.3(2) . .
C14 Li1 H16A 121.8(3) 7_646 .
H12C Li1 H16A 131.8(3) . .
Li1 Li1 H16A 94.1(4) 7_646 .
O1 Li1 C15 121.2(3) . 7_646
C14 Li1 C15 117.3(3) . 7_646
C14 Li1 C15 32.72(13) 7_646 7_646
H12C Li1 C15 69.3(2) . 7_646
Li1 Li1 C15 69.8(3) 7_646 7_646
H16A Li1 C15 154.5(3) . 7_646
C21 O1 C24 108.2(3) . .
C21 O1 Li1 126.2(3) . .
C24 O1 Li1 125.4(3) . .
C8 C1 C11 111.1(3) . .
C8 C1 C10 108.6(3) . .
C11 C1 C10 109.0(3) . .
C8 C1 C2 103.3(3) . .
C11 C1 C2 113.8(3) . .
C10 C1 C2 110.9(3) . .
C14 C2 C3 121.8(3) . .
C14 C2 C1 129.9(3) . .
C3 C2 C1 108.3(2) . .
C9 C3 C12 111.0(3) . .
C9 C3 C13 109.5(3) . .
C12 C3 C13 108.5(3) . .
C9 C3 C2 103.5(3) . .
C12 C3 C2 113.7(3) . .
C13 C3 C2 110.5(3) . .
C5 C4 C9 120.0(4) . .
C4 C5 C6 120.2(3) . .
C7 C6 C5 120.6(3) . .
C6 C7 C8 119.2(3) . .
C9 C8 C7 120.1(3) . .
C9 C8 C1 112.3(3) . .
C7 C8 C1 127.6(3) . .
C4 C9 C8 119.9(3) . .
C4 C9 C3 128.3(3) . .
C8 C9 C3 111.8(3) . .
H12C C12 H12B 111.0 . .
H12C C12 H12A 106.7 . .
H12B C12 H12A 105.4 . .
H12C C12 C3 110.6(2) . .
H12B C12 C3 111.9(2) . .
H12A C12 C3 111.1(2) . .
C2 C14 C15 123.3(3) . .
C2 C14 Li1 115.9(3) . .
C15 C14 Li1 106.2(3) . .
C2 C14 Li1 136.8(3) . 7_646
C15 C14 Li1 92.9(2) . 7_646
Li1 C14 Li1 67.8(3) . 7_646
C16 C15 C20 114.5(3) . .
C16 C15 C14 122.6(3) . .
C20 C15 C14 122.1(3) . .
C16 C15 Li1 116.9(2) . 7_646
C20 C15 Li1 93.0(2) . 7_646
C14 C15 Li1 54.3(2) . 7_646
H16A C16 C17 122.0(2) . .
H16A C16 C15 114.4(2) . .
C17 C16 C15 123.5(3) . .
C16 C17 C18 120.2(4) . .
C17 C18 C19 118.9(3) . .
C18 C19 C20 120.6(4) . .
C19 C20 C15 122.3(3) . .
O1 C21 C22 107.4(4) . .
C23 C22 C21 103.6(4) . .
C24 C23 C22 106.5(4) . .
C23 C24 O1 106.6(4) . .
C29 C25 C30 80.8(18) 2_655 2_655
C29 C25 C30 88.7(19) 2_655 .
C30 C25 C30 11.1(35) 2_655 .
C29 C25 C28 67.9(12) 2_655 2_655
C30 C25 C28 148.6(19) 2_655 2_655
C30 C25 C28 154.5(18) . 2_655
C29 C25 C26 151.7(16) 2_655 .
C30 C25 C26 127.5(17) 2_655 .
C30 C25 C26 119.3(18) . .
C28 C25 C26 83.9(12) 2_655 .
C29 C25 C31 29.7(13) 2_655 .
C30 C25 C31 110.3(20) 2_655 .
C30 C25 C31 118.4(18) . .
C28 C25 C31 38.7(8) 2_655 .
C26 C25 C31 122.1(13) . .
C29 C25 C25 136.9(12) 2_655 2_655
C30 C25 C25 56.9(15) 2_655 2_655
C30 C25 C25 48.2(15) . 2_655
C28 C25 C25 153.1(10) 2_655 2_655
C26 C25 C25 71.1(7) . 2_655
C31 C25 C25 166.4(10) . 2_655
C29 C25 C27 121.2(15) 2_655 2_655
C30 C25 C27 157.2(18) 2_655 2_655
C30 C25 C27 147.1(19) . 2_655
C28 C25 C27 53.4(9) 2_655 2_655
C26 C25 C27 30.9(7) . 2_655
C31 C25 C27 92.1(11) . 2_655
C25 C25 C27 100.5(8) 2_655 2_655
C29 C25 C26 169.2(16) 2_655 2_655
C30 C25 C26 107.5(16) 2_655 2_655
C30 C25 C26 98.6(17) . 2_655
C28 C25 C26 103.2(13) 2_655 2_655
C26 C25 C26 21.1(6) . 2_655
C31 C25 C26 142.0(14) . 2_655
C25 C25 C26 50.7(6) 2_655 2_655
C27 C25 C26 49.9(9) 2_655 2_655
C26 C26 C27 146.2(80) 2_655 2_655
C26 C26 C27 18.7(47) 2_655 .
C27 C26 C27 154.3(43) 2_655 .
C26 C26 C25 107.8(8) 2_655 .
C27 C26 C25 84.9(19) 2_655 .
C27 C26 C25 116.9(20) . .
C26 C26 C25 51.1(8) 2_655 2_655
C27 C26 C25 138.8(24) 2_655 2_655
C27 C26 C25 58.9(14) . 2_655
C25 C26 C25 58.2(10) . 2_655
C26 C26 C28 148.0(41) 2_655 2_655
C27 C26 C28 38.9(19) 2_655 2_655
C27 C26 C28 163.1(18) . 2_655
C25 C26 C28 46.8(7) . 2_655
C25 C26 C28 104.4(10) 2_655 2_655
C26 C27 C28 118.6(29) 2_655 .
C26 C27 C26 15.1(33) 2_655 .
C28 C27 C26 126.5(18) . .
C26 C27 C25 64.2(20) 2_655 2_655
C28 C27 C25 55.4(10) . 2_655
C26 C27 C25 71.2(12) . 2_655
C31 C28 C27 151.1(24) 2_655 .
C31 C28 C25 80.1(18) 2_655 2_655
C27 C28 C25 71.2(12) . 2_655
C31 C28 C29 35.1(16) 2_655 .
C27 C28 C29 116.7(14) . .
C25 C28 C29 45.6(7) 2_655 .
C31 C28 C26 128.8(23) 2_655 2_655
C27 C28 C26 22.4(11) . 2_655
C25 C28 C26 49.3(10) 2_655 2_655
C29 C28 C26 94.9(13) . 2_655
C31 C29 C25 109.6(37) 2_655 2_655
C31 C29 C28 43.9(26) 2_655 .
C25 C29 C28 66.5(14) 2_655 .
C31 C29 C30 162.5(38) 2_655 .
C25 C29 C30 53.8(10) 2_655 .
C28 C29 C30 120.3(17) . .
C31 C29 C30 162.1(38) 2_655 2_655
C25 C29 C30 52.6(10) 2_655 2_655
C28 C29 C30 118.3(17) . 2_655
C30 C29 C30 6.3(31) . 2_655
C30 C30 C25 115.2(71) 2_655 2_655
C30 C30 C25 53.7(56) 2_655 .
C25 C30 C25 74.9(12) 2_655 .
C30 C30 C29 139.3(100) 2_655 .
C25 C30 C29 45.4(14) 2_655 .
C25 C30 C29 119.9(19) . .
C30 C30 C29 34.4(100) 2_655 2_655
C25 C30 C29 113.6(16) 2_655 2_655
C25 C30 C29 38.7(12) . 2_655
C29 C30 C29 158.3(20) . 2_655
C29 C31 C28 101.0(40) 2_655 2_655
C29 C31 C25 40.7(25) 2_655 .
C28 C31 C25 61.2(18) 2_655 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O1 1.924(6) .
Li1 C14 2.213(7) .
Li1 C14 2.222(6) 7_646
Li1 H12C 2.406(7) .
Li1 Li1 2.472(11) 7_646
Li1 H16A 2.704(7) .
Li1 C15 2.731(7) 7_646
O1 C21 1.424(4) .
O1 C24 1.442(4) .
C1 C8 1.514(4) .
C1 C11 1.525(4) .
C1 C10 1.548(5) .
C1 C2 1.560(4) .
C2 C14 1.345(4) .
C2 C3 1.558(4) .
C3 C9 1.518(4) .
C3 C12 1.523(5) .
C3 C13 1.543(4) .
C4 C5 1.378(5) .
C4 C9 1.387(4) .
C5 C6 1.384(5) .
C6 C7 1.381(5) .
C7 C8 1.397(4) .
C8 C9 1.390(4) .
C12 H12C 0.90 .
C12 H12B 1.00 .
C12 H12A 1.03 .
C14 C15 1.478(4) .
C14 Li1 2.222(6) 7_646
C15 C16 1.405(4) .
C15 C20 1.406(4) .
C15 Li1 2.731(7) 7_646
C16 H16A 0.91 .
C16 C17 1.376(5) .
C17 C18 1.376(5) .
C18 C19 1.380(5) .
C19 C20 1.391(5) .
C21 C22 1.497(6) .
C22 C23 1.496(8) .
C23 C24 1.411(6) .
C25 C29 1.05(2) 2_655
C25 C30 1.19(3) 2_655
C25 C30 1.33(3) .
C25 C28 1.34(2) 2_655
C25 C26 1.40(2) .
C25 C31 1.51(3) .
C25 C25 1.54(2) 2_655
C25 C27 1.55(2) 2_655
C25 C26 1.71(2) 2_655
C26 C26 0.65(2) 2_655
C26 C27 0.80(2) 2_655
C26 C27 1.38(2) .
C26 C25 1.71(2) 2_655
C26 C28 1.83(2) 2_655
C27 C26 0.80(2) 2_655
C27 C28 1.31(2) .
C27 C25 1.55(2) 2_655
C28 C31 0.96(2) 2_655
C28 C25 1.34(2) 2_655
C28 C29 1.36(2) .
C28 C26 1.83(2) 2_655
C29 C31 0.80(2) 2_655
C29 C25 1.05(2) 2_655
C29 C30 1.45(4) .
C29 C30 1.67(4) 2_655
C30 C30 0.28(8) 2_655
C30 C25 1.19(3) 2_655
C30 C29 1.67(4) 2_655
C31 C29 0.80(2) 2_655
C31 C28 0.96(2) 2_655
