#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:20:11 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180133 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/31/7103158.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_7103158
loop_
_publ_author_name
'Zheng, Shao-Liang'
'Pham, Oanh'
'Vande Velde, Christophe M L'
'Gembicky, Milan'
'Coppens, Philip'
_publ_section_title
;
 Competitive isomerization and dimerization in co-crystals of
 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol and sorbic acid: a new look
 at stereochemical requirements for [2+2] dimerization.
;
_journal_issue                   22
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2538
_journal_page_last               2540
_journal_paper_doi               10.1039/b802103a
_journal_year                    2008
_chemical_formula_sum            'C42 H38 O6'
_chemical_formula_weight         638.72
_chemical_melting_point          ?
_chemical_name_common            Diol-2HSA@280k-337nm-1Kpulses-exposure
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.012(3)
_cell_angle_beta                 110.117(2)
_cell_angle_gamma                105.952(4)
_cell_formula_units_Z            1
_cell_length_a                   8.6465(2)
_cell_length_b                   9.8126(2)
_cell_length_c                   11.4267(3)
_cell_measurement_reflns_used    689
_cell_measurement_temperature    280(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.5
_cell_volume                     870.46(4)
_computing_cell_refinement       'Bruker APEXII'
_computing_data_collection       'Bruker APEXII'
_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      280(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0155
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11635
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.9968
_exptl_absorpt_correction_T_min  0.9888
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
'Blessing, R. (1995) Acta Crystallogr., A51, 33-38'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             338
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.205
_refine_diff_density_min         -0.170
_refine_diff_density_rms         0.028
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     242
_refine_ls_number_reflns         3424
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0358
_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)+(0.0436P)²+0.2023P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0947
_reflns_number_gt                2835
_reflns_number_total             3424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802103a.txt
_cod_data_source_block           Diol-2HSA@280k-337nm-1Kpulses-exposure
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103158
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.46733(10) 0.13430(8) 0.31718(8) 0.0380(2) Uani 1 1 d D . .
H1O H 0.5493 0.1230 0.3823 0.046 Uiso 1 1 d RD . .
C1 C 0.38680(16) 0.41612(13) 0.11205(12) 0.0413(3) Uani 1 1 d . . .
H1A H 0.4717 0.4996 0.1600 0.050 Uiso 1 1 calc R . .
C2 C 0.26838(18) 0.42646(16) -0.00281(13) 0.0509(3) Uani 1 1 d . . .
H2A H 0.2727 0.5168 -0.0336 0.061 Uiso 1 1 calc R . .
C3 C 0.14471(18) 0.30659(18) -0.07244(13) 0.0549(4) Uani 1 1 d . . .
H3A H 0.0626 0.3139 -0.1508 0.066 Uiso 1 1 calc R . .
C4 C 0.14033(18) 0.17611(17) -0.02827(13) 0.0561(4) Uani 1 1 d . . .
H4A H 0.0552 0.0930 -0.0767 0.067 Uiso 1 1 calc R . .
C5 C 0.25868(16) 0.16427(14) 0.08629(11) 0.0436(3) Uani 1 1 d . . .
H5A H 0.2549 0.0734 0.1159 0.052 Uiso 1 1 calc R . .
C6 C 0.38242(13) 0.28497(12) 0.15765(10) 0.0311(2) Uani 1 1 d . . .
C7 C 0.51681(13) 0.27643(11) 0.28439(10) 0.0308(2) Uani 1 1 d . . .
C8 C 0.69488(14) 0.30959(12) 0.27291(10) 0.0339(3) Uani 1 1 d . . .
C9 C 0.72045(19) 0.21673(15) 0.19528(15) 0.0551(4) Uani 1 1 d . . .
H9A H 0.6290 0.1349 0.1508 0.066 Uiso 1 1 calc R . .
C10 C 0.8790(2) 0.24264(19) 0.18224(19) 0.0718(5) Uani 1 1 d . . .
H10A H 0.8961 0.1781 0.1292 0.086 Uiso 1 1 calc R . .
C11 C 1.01207(19) 0.3612(2) 0.24542(17) 0.0678(5) Uani 1 1 d . . .
H11A H 1.1211 0.3780 0.2369 0.081 Uiso 1 1 calc R . .
C12 C 0.98658(18) 0.45424(19) 0.32031(15) 0.0615(4) Uani 1 1 d . . .
H12A H 1.0778 0.5370 0.3630 0.074 Uiso 1 1 calc R . .
C13 C 0.82817(15) 0.42913(15) 0.33474(12) 0.0459(3) Uani 1 1 d . . .
H13A H 0.8118 0.4946 0.3874 0.055 Uiso 1 1 calc R . .
C14 C 0.51393(14) 0.37652(13) 0.37985(10) 0.0348(3) Uani 1 1 d . . .
C15 C 0.50475(14) 0.45455(13) 0.45605(10) 0.0366(3) Uani 1 1 d . . .
O2 O 0.7268(3) 0.1024(3) 0.5179(2) 0.0736(5) Uani 0.9204(18) 1 d PD A 1
O3 O 0.85168(19) -0.0125(2) 0.67010(17) 0.0529(4) Uani 0.9204(18) 1 d PD A 1
H3O H 0.7435 -0.0487 0.6653 0.063 Uiso 0.9204(18) 1 d PRD A 1
C21 C 0.8560(2) 0.0790(3) 0.5859(2) 0.0429(5) Uani 0.9204(18) 1 d PD A 1
C22 C 1.0282(2) 0.15002(16) 0.58555(14) 0.0476(4) Uani 0.9204(18) 1 d PD A 1
H22A H 1.0378 0.2092 0.5211 0.057 Uiso 0.9204(18) 1 calc PR A 1
C23 C 1.17161(18) 0.13652(15) 0.67009(14) 0.0447(3) Uani 0.9204(18) 1 d PD A 1
H23A H 1.1590 0.0764 0.7334 0.054 Uiso 0.9204(18) 1 calc PR A 1
C24 C 1.3447(2) 0.20387(17) 0.67553(17) 0.0536(4) Uani 0.9204(18) 1 d PD A 1
H24A H 1.3599 0.2587 0.6097 0.064 Uiso 0.9204(18) 1 calc PR A 1
C25 C 1.4829(3) 0.19374(19) 0.7664(2) 0.0615(5) Uani 0.9204(18) 1 d PD A 1
H25A H 1.4653 0.1412 0.8329 0.074 Uiso 0.9204(18) 1 calc PR A 1
C26 C 1.6645(3) 0.2569(2) 0.7751(3) 0.0810(7) Uani 0.9204(18) 1 d PD A 1
H26A H 1.6663 0.3067 0.7010 0.097 Uiso 0.9204(18) 1 calc PR A 1
H26B H 1.7194 0.1810 0.7794 0.097 Uiso 0.9204(18) 1 calc PR A 1
H26C H 1.7273 0.3246 0.8507 0.097 Uiso 0.9204(18) 1 calc PR A 1
O2B O 0.694(4) 0.121(5) 0.529(4) 0.0736(5) Uani 0.0796(18) 1 d PD A 2
O3B O 0.814(3) -0.034(3) 0.647(3) 0.0529(4) Uani 0.0796(18) 1 d PD A 2
H3OB H 0.7256 -0.0537 0.6807 0.063 Uiso 0.0796(18) 1 d PRD A 2
C21B C 0.814(4) 0.070(4) 0.569(4) 0.0429(5) Uani 0.0796(18) 1 d PD A 2
C22B C 0.955(2) 0.082(2) 0.5242(17) 0.0476(4) Uani 0.0796(18) 1 d PD . 2
H22B H 0.9896 0.1788 0.4960 0.057 Uiso 0.0796(18) 1 calc PR A 2
C23B C 1.1016(17) 0.0389(16) 0.5882(15) 0.0447(3) Uani 0.0796(18) 1 d PD . 2
H23B H 1.0860 -0.0074 0.6629 0.054 Uiso 0.0796(18) 1 calc PR A 2
C24B C 1.276(2) 0.135(2) 0.6255(19) 0.0536(4) Uani 0.0796(18) 1 d PD A 2
H24B H 1.2949 0.2010 0.5676 0.064 Uiso 0.0796(18) 1 calc PR A 2
C25B C 1.410(3) 0.144(3) 0.725(2) 0.0615(5) Uani 0.0796(18) 1 d PD A 2
H25B H 1.3865 0.0803 0.7831 0.074 Uiso 0.0796(18) 1 calc PR A 2
C26B C 1.591(3) 0.232(3) 0.767(3) 0.0810(7) Uani 0.0796(18) 1 d PD A 2
H26D H 1.6557 0.2024 0.8466 0.121 Uiso 0.0796(18) 1 calc PR A 2
H26E H 1.5969 0.3323 0.7794 0.121 Uiso 0.0796(18) 1 calc PR A 2
H26F H 1.6401 0.2192 0.7041 0.121 Uiso 0.0796(18) 1 calc PR A 2
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
C7 O1 H1O 109.2 . . ?
C2 C1 C6 120.46(12) . . ?
C2 C1 H1A 119.8 . . ?
C6 C1 H1A 119.8 . . ?
C3 C2 C1 120.22(13) . . ?
C3 C2 H2A 119.9 . . ?
C1 C2 H2A 119.9 . . ?
C4 C3 C2 119.66(12) . . ?
C4 C3 H3A 120.2 . . ?
C2 C3 H3A 120.2 . . ?
C3 C4 C5 120.68(13) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C4 119.94(12) . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C1 119.05(11) . . ?
C5 C6 C7 121.61(10) . . ?
C1 C6 C7 119.33(10) . . ?
O1 C7 C14 108.75(9) . . ?
O1 C7 C6 107.54(9) . . ?
C14 C7 C6 108.79(9) . . ?
O1 C7 C8 109.97(8) . . ?
C14 C7 C8 112.10(9) . . ?
C6 C7 C8 109.58(8) . . ?
C13 C8 C9 119.05(11) . . ?
C13 C8 C7 122.65(11) . . ?
C9 C8 C7 118.29(11) . . ?
C8 C9 C10 120.16(14) . . ?
C8 C9 H9A 119.9 . . ?
C10 C9 H9A 119.9 . . ?
C11 C10 C9 120.48(15) . . ?
C11 C10 H10A 119.8 . . ?
C9 C10 H10A 119.8 . . ?
C12 C11 C10 119.57(13) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
C11 C12 C13 120.54(15) . . ?
C11 C12 H12A 119.7 . . ?
C13 C12 H12A 119.7 . . ?
C8 C13 C12 120.19(13) . . ?
C8 C13 H13A 119.9 . . ?
C12 C13 H13A 119.9 . . ?
C15 C14 C7 177.35(12) . . ?
C14 C15 C15 179.55(17) . 2_666 ?
C21 O3 H3O 108.7 . . ?
C21 O3 H3OB 114.7 . . ?
O2 C21 O3 121.4(2) . . ?
O2 C21 C22 124.0(2) . . ?
O3 C21 C22 114.61(14) . . ?
C23 C22 C21 123.69(14) . . ?
C23 C22 H22A 118.2 . . ?
C21 C22 H22A 118.2 . . ?
C22 C23 C24 126.48(14) . . ?
C22 C23 H23A 116.8 . . ?
C24 C23 H23A 116.8 . . ?
C25 C24 C23 123.72(16) . . ?
C25 C24 H24A 118.1 . . ?
C23 C24 H24A 118.1 . . ?
C24 C25 C26 126.15(19) . . ?
C24 C25 H25A 116.9 . . ?
C26 C25 H25A 116.9 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21B O3B H3O 111.6 . . ?
C21B O3B H3OB 115.7 . . ?
O2B C21B O3B 123(3) . . ?
O2B C21B C22B 128(3) . . ?
O3B C21B C22B 108(2) . . ?
C23B C22B C21B 123.9(17) . . ?
C23B C22B C23B 90.3(14) . 2_756 ?
C21B C22B C23B 110(2) . 2_756 ?
C23B C22B H22B 110.4 . . ?
C21B C22B H22B 110.4 . . ?
C23B C22B H22B 110.4 2_756 . ?
C22B C23B C24B 122.7(15) . . ?
C22B C23B C22B 89.7(14) . 2_756 ?
C24B C23B C22B 116.7(14) . 2_756 ?
C22B C23B H23B 108.7 . . ?
C24B C23B H23B 108.7 . . ?
C22B C23B H23B 108.7 2_756 . ?
C25B C24B C23B 130.4(18) . . ?
C25B C24B H24B 114.8 . . ?
C23B C24B H24B 114.8 . . ?
C24B C25B C26B 134(3) . . ?
C24B C25B H25B 112.9 . . ?
C26B C25B H25B 112.9 . . ?
C25B C26B H26D 109.5 . . ?
C25B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
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
O1 C7 1.4321(13) . ?
O1 H1O 0.8653 . ?
C1 C2 1.3835(18) . ?
C1 C6 1.3842(16) . ?
C1 H1A 0.9500 . ?
C2 C3 1.372(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.372(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.3850(18) . ?
C4 H4A 0.9500 . ?
C5 C6 1.3840(17) . ?
C5 H5A 0.9500 . ?
C6 C7 1.5332(15) . ?
C7 C14 1.4787(16) . ?
C7 C8 1.5354(14) . ?
C8 C13 1.3784(17) . ?
C8 C9 1.3824(18) . ?
C9 C10 1.384(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.375(3) . ?
C10 H10A 0.9500 . ?
C11 C12 1.362(2) . ?
C11 H11A 0.9500 . ?
C12 C13 1.3906(18) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.1964(16) . ?
C15 C15 1.381(2) 2_666 ?
O2 C21 1.203(2) . ?
O3 C21 1.3195(19) . ?
O3 H3O 0.8868 . ?
C21 C22 1.462(2) . ?
C22 C23 1.325(2) . ?
C22 H22A 0.9500 . ?
C23 C24 1.440(2) . ?
C23 H23A 0.9500 . ?
C24 C25 1.315(3) . ?
C24 H24A 0.9500 . ?
C25 C26 1.489(2) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
O2B C21B 1.216(18) . ?
O3B C21B 1.359(19) . ?
O3B H3OB 0.9451 . ?
C21B C22B 1.453(18) . ?
C22B C23B 1.409(16) . ?
C22B C23B 1.60(3) 2_756 ?
C22B H22B 1.0000 . ?
C23B C24B 1.458(16) . ?
C23B C22B 1.60(3) 2_756 ?
C23B H23B 1.0000 . ?
C24B C25B 1.294(18) . ?
C24B H24B 0.9500 . ?
C25B C26B 1.466(18) . ?
C25B H25B 0.9500 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1O O2 0.87 1.83 2.691(2) 178.4 .
O3 H3O O1 0.89 1.86 2.7425(19) 170.0 2_656
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.3(2) . . . . ?
C1 C2 C3 C4 -0.8(2) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C3 C4 C5 C6 0.3(2) . . . . ?
C4 C5 C6 C1 -0.78(18) . . . . ?
C4 C5 C6 C7 -179.44(11) . . . . ?
C2 C1 C6 C5 0.47(18) . . . . ?
C2 C1 C6 C7 179.16(11) . . . . ?
C5 C6 C7 O1 -9.91(14) . . . . ?
C1 C6 C7 O1 171.44(9) . . . . ?
C5 C6 C7 C14 -127.52(11) . . . . ?
C1 C6 C7 C14 53.82(13) . . . . ?
C5 C6 C7 C8 109.60(12) . . . . ?
C1 C6 C7 C8 -69.06(13) . . . . ?
O1 C7 C8 C13 -128.17(11) . . . . ?
C14 C7 C8 C13 -7.07(15) . . . . ?
C6 C7 C8 C13 113.82(12) . . . . ?
O1 C7 C8 C9 53.15(14) . . . . ?
C14 C7 C8 C9 174.25(11) . . . . ?
C6 C7 C8 C9 -64.85(14) . . . . ?
C13 C8 C9 C10 1.3(2) . . . . ?
C7 C8 C9 C10 180.00(13) . . . . ?
C8 C9 C10 C11 -0.5(3) . . . . ?
C9 C10 C11 C12 -0.7(3) . . . . ?
C10 C11 C12 C13 1.0(2) . . . . ?
C9 C8 C13 C12 -0.96(19) . . . . ?
C7 C8 C13 C12 -179.63(12) . . . . ?
C11 C12 C13 C8 -0.2(2) . . . . ?
O2 C21 C22 C23 171.8(3) . . . . ?
O3 C21 C22 C23 -6.7(3) . . . . ?
C21 C22 C23 C24 -179.63(18) . . . . ?
C22 C23 C24 C25 175.43(17) . . . . ?
C23 C24 C25 C26 177.91(17) . . . . ?
O2B C21B C22B C23B 169(4) . . . . ?
O3B C21B C22B C23B -23(4) . . . . ?
O2B C21B C22B C23B -86(5) . . . 2_756 ?
O3B C21B C22B C23B 81(3) . . . 2_756 ?
C21B C22B C23B C24B -124(3) . . . . ?
C23B C22B C23B C24B 122(2) 2_756 . . . ?
C21B C22B C23B C22B 114(3) . . . 2_756 ?
C23B C22B C23B C22B 0.000(2) 2_756 . . 2_756 ?
C22B C23B C24B C25B 143(2) . . . . ?
C22B C23B C24B C25B -108(3) 2_756 . . . ?
C23B C24B C25B C26B 177(2) . . . . ?
