#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:29:24 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180476 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/45/7214591.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_7214591
loop_
_publ_author_name
'Nassimbeni, Luigi R.'
'Su, Hong'
_publ_section_title
;
 How to monitor guest exchange in host--guest systems
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              7396
_journal_paper_doi               10.1039/c3ce40675j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C20 H16 O3.C3.09 H2.78 Cl0.41'
_chemical_formula_sum            'C23.09 H18.78 Cl0.41 O3'
_chemical_formula_weight         358.66
_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                95.811(1)
_cell_angle_beta                 96.459(1)
_cell_angle_gamma                110.021(3)
_cell_formula_units_Z            2
_cell_length_a                   8.3704(3)
_cell_length_b                   9.0991(4)
_cell_length_c                   12.6749(6)
_cell_measurement_reflns_used    11944
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      3.27
_cell_volume                     891.11(7)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT program (Nonius, 2000)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nonius Kappa CCD diffractometer'
_diffrn_measurement_method       '1.2° φ scans and ω 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  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0848
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11944
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         3.27
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_T_max  0.9785
_exptl_absorpt_correction_T_min  0.9480
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourles
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             376
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.252
_refine_diff_density_rms         0.054
_refine_ls_extinction_coef       none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3107
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0504
_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)+(0.0624P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1328
_reflns_number_gt                1802
_reflns_number_total             3107
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40675j.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7214591
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
O9 O 0.28157(19) 0.78618(19) 0.53197(13) 0.0270(4) Uani 1 1 d D
H9 H 0.212(3) 0.692(2) 0.4823(19) 0.078(10) Uiso 1 1 d D
O10 O -0.07113(18) 0.48901(18) 0.61776(13) 0.0307(5) Uani 1 1 d .
O11 O 0.6874(2) 1.3377(2) 0.90488(15) 0.0417(5) Uani 1 1 d .
C1 C 0.3898(3) 0.6244(3) 0.7237(2) 0.0292(6) Uani 1 1 d .
H1 H 0.4905 0.7170 0.7371 0.035 Uiso 1 1 calc R
C2 C 0.4008(3) 0.4848(3) 0.7503(2) 0.0330(7) Uani 1 1 d .
H2 H 0.5088 0.4811 0.7793 0.040 Uiso 1 1 calc R
C3 C 0.2547(3) 0.3502(3) 0.7346(2) 0.0340(7) Uani 1 1 d .
H3 H 0.2619 0.2541 0.7538 0.041 Uiso 1 1 calc R
C4 C 0.0993(3) 0.3551(3) 0.6913(2) 0.0312(6) Uani 1 1 d .
H4 H -0.0018 0.2629 0.6805 0.037 Uiso 1 1 calc R
C5 C -0.2668(3) 0.6165(3) 0.5797(2) 0.0301(6) Uani 1 1 d .
H5 H -0.3569 0.5161 0.5701 0.036 Uiso 1 1 calc R
C6 C -0.3034(3) 0.7509(3) 0.5668(2) 0.0314(6) Uani 1 1 d .
H6 H -0.4190 0.7434 0.5468 0.038 Uiso 1 1 calc R
C7 C -0.1707(3) 0.8972(3) 0.5831(2) 0.0322(6) Uani 1 1 d .
H7 H -0.1955 0.9903 0.5757 0.039 Uiso 1 1 calc R
C8 C -0.0031(3) 0.9067(3) 0.6101(2) 0.0299(6) Uani 1 1 d .
H8 H 0.0864 1.0076 0.6215 0.036 Uiso 1 1 calc R
C9 C 0.2245(3) 0.7813(3) 0.63638(18) 0.0234(6) Uani 1 1 d .
C11 C 0.2340(3) 0.6335(3) 0.67763(19) 0.0237(6) Uani 1 1 d .
C12 C 0.0916(3) 0.4958(3) 0.66353(19) 0.0261(6) Uani 1 1 d .
C13 C -0.0962(3) 0.6299(3) 0.60688(19) 0.0260(6) Uani 1 1 d .
C14 C 0.0393(3) 0.7743(3) 0.62113(18) 0.0229(6) Uani 1 1 d .
C15 C 0.3464(3) 0.9318(3) 0.7077(2) 0.0236(6) Uani 1 1 d .
C16 C 0.3247(3) 0.9615(3) 0.8135(2) 0.0301(6) Uani 1 1 d .
H16 H 0.2314 0.8886 0.8391 0.036 Uiso 1 1 calc R
C17 C 0.4350(3) 1.0944(3) 0.8833(2) 0.0310(6) Uani 1 1 d .
H17 H 0.4180 1.1119 0.9556 0.037 Uiso 1 1 calc R
C18 C 0.5707(3) 1.2012(3) 0.8450(2) 0.0294(6) Uani 1 1 d .
C19 C 0.5941(3) 1.1755(3) 0.7392(2) 0.0295(6) Uani 1 1 d .
H19 H 0.6862 1.2496 0.7133 0.035 Uiso 1 1 calc R
C20 C 0.4829(3) 1.0411(3) 0.6710(2) 0.0277(6) Uani 1 1 d .
H20 H 0.4999 1.0237 0.5986 0.033 Uiso 1 1 calc R
C21 C 0.6637(4) 1.3717(3) 1.0135(2) 0.0535(8) Uani 1 1 d .
H21A H 0.6686 1.2851 1.0523 0.080 Uiso 1 1 calc R
H21B H 0.5514 1.3827 1.0142 0.080 Uiso 1 1 calc R
H21C H 0.7550 1.4705 1.0483 0.080 Uiso 1 1 calc R
Cl1G Cl -0.1369(8) 0.7288(7) -0.1014(5) 0.0816(14) Uani 0.40 1 d P
C1G C -0.116(2) 0.7824(19) -0.0899(18) 0.131(8) Uani 0.60 1 d P
C2G C 0.0688(4) 0.9499(6) 0.0691(3) 0.0655(10) Uani 1 1 d .
C3G C -0.0441(7) 0.9208(9) -0.0351(6) 0.0546(18) Uani 0.50 1 d P
C4G C 0.0001(12) 0.8038(12) 0.0213(10) 0.085(3) Uani 0.50 1 d P
C5G C -0.1434(10) 0.9041(13) -0.1227(7) 0.079(3) Uani 0.50 1 d P
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'
Cl Cl 0.1484 0.1585 '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
C9 O9 H9 110.9(19) . .
C13 O10 C12 118.34(17) . .
C18 O11 C21 116.8(2) . .
C2 C1 C11 121.7(2) . .
C2 C1 H1 119.1 . .
C11 C1 H1 119.1 . .
C1 C2 C3 119.9(2) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 120.0(2) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C12 119.1(2) . .
C3 C4 H4 120.4 . .
C12 C4 H4 120.4 . .
C6 C5 C13 119.1(2) . .
C6 C5 H5 120.5 . .
C13 C5 H5 120.5 . .
C5 C6 C7 119.9(2) . .
C5 C6 H6 120.1 . .
C7 C6 H6 120.1 . .
C8 C7 C6 119.7(2) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C7 C8 C14 122.2(2) . .
C7 C8 H8 118.9 . .
C14 C8 H8 118.9 . .
O9 C9 C11 108.35(18) . .
O9 C9 C14 107.94(18) . .
C11 C9 C14 109.84(17) . .
O9 C9 C15 105.83(17) . .
C11 C9 C15 112.23(19) . .
C14 C9 C15 112.41(19) . .
C12 C11 C1 116.2(2) . .
C12 C11 C9 121.6(2) . .
C1 C11 C9 122.0(2) . .
C11 C12 C4 123.0(2) . .
C11 C12 O10 121.8(2) . .
C4 C12 O10 115.2(2) . .
O10 C13 C14 122.5(2) . .
O10 C13 C5 115.2(2) . .
C14 C13 C5 122.3(2) . .
C8 C14 C13 116.9(2) . .
C8 C14 C9 122.3(2) . .
C13 C14 C9 120.5(2) . .
C16 C15 C20 118.1(2) . .
C16 C15 C9 119.6(2) . .
C20 C15 C9 122.3(2) . .
C15 C16 C17 122.2(2) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C16 C17 C18 118.7(2) . .
C16 C17 H17 120.7 . .
C18 C17 H17 120.7 . .
O11 C18 C19 115.1(2) . .
O11 C18 C17 124.5(2) . .
C19 C18 C17 120.4(2) . .
C18 C19 C20 120.0(2) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C15 120.7(2) . .
C19 C20 H20 119.7 . .
C15 C20 H20 119.7 . .
O11 C21 H21A 109.5 . .
O11 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O11 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C5G Cl1G C3G 44.0(4) . .
C5G Cl1G C4G 93.9(6) . .
C3G Cl1G C4G 49.9(4) . .
C3G C1G C5G 59.0(9) . .
C3G C1G C4G 60.8(9) . .
C5G C1G C4G 119.7(11) . .
C4G C2G C5G 176.6(7) . 2_575
C4G C2G C3G 127.1(6) . 2_575
C5G C2G C3G 56.3(5) 2_575 2_575
C4G C2G C3G 63.2(5) . .
C5G C2G C3G 120.3(7) 2_575 .
C3G C2G C3G 64.0(6) 2_575 .
C5G C3G C1G 61.4(13) . .
C5G C3G C2G 60.5(6) . 2_575
C1G C3G C2G 121.8(14) . 2_575
C5G C3G C4G 130.8(9) . .
C1G C3G C4G 69.5(12) . .
C2G C3G C4G 168.5(8) 2_575 .
C5G C3G C2G 176.1(9) . .
C1G C3G C2G 122.1(14) . .
C2G C3G C2G 116.0(6) 2_575 .
C4G C3G C2G 52.6(5) . .
C5G C3G C3G 122.1(11) . 2_575
C1G C3G C3G 176.4(16) . 2_575
C2G C3G C3G 61.7(6) 2_575 2_575
C4G C3G C3G 106.9(9) . 2_575
C2G C3G C3G 54.4(5) . 2_575
C5G C3G Cl1G 65.2(6) . .
C1G C3G Cl1G 4.0(13) . .
C2G C3G Cl1G 125.7(5) 2_575 .
C4G C3G Cl1G 65.7(7) . .
C2G C3G Cl1G 118.3(6) . .
C3G C3G Cl1G 172.5(8) 2_575 .
C2G C4G C3G 64.2(5) . .
C2G C4G C1G 113.9(9) . .
C3G C4G C1G 49.7(8) . .
C2G C4G Cl1G 128.7(7) . .
C3G C4G Cl1G 64.5(6) . .
C1G C4G Cl1G 14.8(8) . .
C3G C5G C1G 59.6(11) . .
C3G C5G C2G 63.2(6) . 2_575
C1G C5G C2G 122.8(12) . 2_575
C3G C5G Cl1G 70.8(7) . .
C1G C5G Cl1G 11.2(10) . .
C2G C5G Cl1G 134.0(7) 2_575 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O9 C9 1.456(3) .
O9 H9 0.966(2) .
O10 C13 1.386(3) .
O10 C12 1.397(3) .
O11 C18 1.373(3) .
O11 C21 1.430(3) .
C1 C2 1.376(3) .
C1 C11 1.400(3) .
C1 H1 0.9500 .
C2 C3 1.380(3) .
C2 H2 0.9500 .
C3 C4 1.372(3) .
C3 H3 0.9500 .
C4 C12 1.383(3) .
C4 H4 0.9500 .
C5 C6 1.379(3) .
C5 C13 1.391(3) .
C5 H5 0.9500 .
C6 C7 1.389(3) .
C6 H6 0.9500 .
C7 C8 1.377(3) .
C7 H7 0.9500 .
C8 C14 1.383(3) .
C8 H8 0.9500 .
C9 C11 1.515(3) .
C9 C14 1.519(3) .
C9 C15 1.523(3) .
C11 C12 1.380(3) .
C13 C14 1.390(3) .
C15 C16 1.385(3) .
C15 C20 1.395(3) .
C16 C17 1.390(3) .
C16 H16 0.9500 .
C17 C18 1.391(3) .
C17 H17 0.9500 .
C18 C19 1.384(3) .
C19 C20 1.391(3) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
Cl1G C5G 1.662(13) .
Cl1G C3G 1.729(9) .
Cl1G C4G 1.745(15) .
C1G C3G 1.280(17) .
C1G C5G 1.30(2) .
C1G C4G 1.57(2) .
C2G C4G 1.304(10) .
C2G C5G 1.331(10) 2_575
C2G C3G 1.365(8) 2_575
C2G C3G 1.478(8) .
C3G C5G 1.272(10) .
C3G C2G 1.365(8) 2_575
C3G C4G 1.465(12) .
C3G C3G 1.510(15) 2_575
C5G C2G 1.331(9) 2_575
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
O9 H9 O10 0.966(2) 1.905(3) 2.871(2) 178(3) 2_566
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_4
C11 C1 C2 C3 -2.0(4) . .
C1 C2 C3 C4 0.9(4) . .
C2 C3 C4 C12 0.2(4) . .
C13 C5 C6 C7 -1.3(4) . .
C5 C6 C7 C8 1.2(4) . .
C6 C7 C8 C14 0.4(4) . .
C2 C1 C11 C12 2.0(3) . .
C2 C1 C11 C9 -172.7(2) . .
O9 C9 C11 C12 -96.0(2) . .
C14 C9 C11 C12 21.7(3) . .
C15 C9 C11 C12 147.5(2) . .
O9 C9 C11 C1 78.5(3) . .
C14 C9 C11 C1 -163.9(2) . .
C15 C9 C11 C1 -38.0(3) . .
C1 C11 C12 C4 -0.8(4) . .
C9 C11 C12 C4 173.9(2) . .
C1 C11 C12 O10 -179.6(2) . .
C9 C11 C12 O10 -4.9(3) . .
C3 C4 C12 C11 -0.2(4) . .
C3 C4 C12 O10 178.6(2) . .
C13 O10 C12 C11 -13.3(3) . .
C13 O10 C12 C4 167.8(2) . .
C12 O10 C13 C14 12.0(3) . .
C12 O10 C13 C5 -168.6(2) . .
C6 C5 C13 O10 -179.7(2) . .
C6 C5 C13 C14 -0.3(4) . .
C7 C8 C14 C13 -1.9(4) . .
C7 C8 C14 C9 171.8(2) . .
O10 C13 C14 C8 -178.8(2) . .
C5 C13 C14 C8 1.9(3) . .
O10 C13 C14 C9 7.4(3) . .
C5 C13 C14 C9 -172.0(2) . .
O9 C9 C14 C8 -78.4(3) . .
C11 C9 C14 C8 163.7(2) . .
C15 C9 C14 C8 38.0(3) . .
O9 C9 C14 C13 95.1(2) . .
C11 C9 C14 C13 -22.8(3) . .
C15 C9 C14 C13 -148.6(2) . .
O9 C9 C15 C16 179.9(2) . .
C11 C9 C15 C16 -62.1(3) . .
C14 C9 C15 C16 62.4(3) . .
O9 C9 C15 C20 -1.2(3) . .
C11 C9 C15 C20 116.8(2) . .
C14 C9 C15 C20 -118.8(2) . .
C20 C15 C16 C17 -0.8(4) . .
C9 C15 C16 C17 178.0(2) . .
C15 C16 C17 C18 0.5(4) . .
C21 O11 C18 C19 177.7(2) . .
C21 O11 C18 C17 -1.1(4) . .
C16 C17 C18 O11 179.2(2) . .
C16 C17 C18 C19 0.4(4) . .
O11 C18 C19 C20 -179.7(2) . .
C17 C18 C19 C20 -0.8(4) . .
C18 C19 C20 C15 0.4(4) . .
C16 C15 C20 C19 0.4(3) . .
C9 C15 C20 C19 -178.4(2) . .
C4G C1G C3G C5G -177.1(9) . .
C5G C1G C3G C2G -1.2(10) . 2_575
C4G C1G C3G C2G -178.3(7) . 2_575
C5G C1G C3G C4G 177.1(9) . .
C5G C1G C3G C2G 178.1(7) . .
C4G C1G C3G C2G 1.0(9) . .
C5G C1G C3G C3G 170(17) . 2_575
C4G C1G C3G C3G -8(17) . 2_575
C5G C1G C3G Cl1G 166(15) . .
C4G C1G C3G Cl1G -11(14) . .
C4G C2G C3G C5G 153(9) . .
C5G C2G C3G C5G -27(10) 2_575 .
C3G C2G C3G C5G -25(9) 2_575 .
C4G C2G C3G C1G -1.2(11) . .
C5G C2G C3G C1G 178.8(10) 2_575 .
C3G C2G C3G C1G -179.4(12) 2_575 .
C4G C2G C3G C2G 178.2(6) . 2_575
C5G C2G C3G C2G -1.8(7) 2_575 2_575
C3G C2G C3G C2G 0.0 2_575 2_575
C5G C2G C3G C4G -180.0(6) 2_575 .
C3G C2G C3G C4G -178.2(6) 2_575 .
C4G C2G C3G C3G 178.2(6) . 2_575
C5G C2G C3G C3G -1.8(7) 2_575 2_575
C4G C2G C3G Cl1G -0.3(5) . .
C5G C2G C3G Cl1G 179.8(5) 2_575 .
C3G C2G C3G Cl1G -178.4(8) 2_575 .
C4G Cl1G C3G C5G -177.9(6) . .
C5G Cl1G C3G C1G -13(14) . .
C4G Cl1G C3G C1G 169(14) . .
C5G Cl1G C3G C2G -0.2(5) . 2_575
C4G Cl1G C3G C2G -178.0(7) . 2_575
C5G Cl1G C3G C4G 177.9(6) . .
C5G Cl1G C3G C2G 178.1(7) . .
C4G Cl1G C3G C2G 0.2(4) . .
C5G Cl1G C3G C3G 168(5) . 2_575
C4G Cl1G C3G C3G -10(5) . 2_575
C5G C2G C4G C3G 180(100) 2_575 .
C3G C2G C4G C3G 2.1(7) 2_575 .
C5G C2G C4G C1G -179(100) 2_575 .
C3G C2G C4G C1G 3.0(11) 2_575 .
C3G C2G C4G C1G 0.9(8) . .
C5G C2G C4G Cl1G 180(100) 2_575 .
C3G C2G C4G Cl1G 2.3(10) 2_575 .
C3G C2G C4G Cl1G 0.3(6) . .
C5G C3G C4G C2G -177.7(8) . .
C1G C3G C4G C2G 178.9(10) . .
C2G C3G C4G C2G -8(3) 2_575 .
C3G C3G C4G C2G -1.6(5) 2_575 .
Cl1G C3G C4G C2G 179.8(5) . .
C5G C3G C4G C1G 3.4(11) . .
C2G C3G C4G C1G 173(3) 2_575 .
C2G C3G C4G C1G -178.9(10) . .
C3G C3G C4G C1G 179.5(11) 2_575 .
Cl1G C3G C4G C1G 0.8(10) . .
C5G C3G C4G Cl1G 2.5(7) . .
C1G C3G C4G Cl1G -0.8(10) . .
C2G C3G C4G Cl1G 172(3) 2_575 .
C2G C3G C4G Cl1G -179.8(5) . .
C3G C3G C4G Cl1G 178.7(7) 2_575 .
C3G C1G C4G C2G -1.1(10) . .
C5G C1G C4G C2G -3.9(17) . .
C5G C1G C4G C3G -2.9(9) . .
C3G C1G C4G Cl1G 177(4) . .
C5G C1G C4G Cl1G 174(4) . .
C5G Cl1G C4G C2G -1.8(8) . .
C3G Cl1G C4G C2G -0.3(6) . .
C5G Cl1G C4G C3G -1.5(4) . .
C5G Cl1G C4G C1G -4(3) . .
C3G Cl1G C4G C1G -2(3) . .
C2G C3G C5G C1G 178.8(10) 2_575 .
C4G C3G C5G C1G -3.6(12) . .
C2G C3G C5G C1G -155(9) . .
C3G C3G C5G C1G -179.2(12) 2_575 .
Cl1G C3G C5G C1G -1.0(11) . .
C1G C3G C5G C2G -178.8(10) . 2_575
C4G C3G C5G C2G 177.6(8) . 2_575
C2G C3G C5G C2G 26(9) . 2_575
C3G C3G C5G C2G 2.0(7) 2_575 2_575
Cl1G C3G C5G C2G -179.9(5) . 2_575
C1G C3G C5G Cl1G 1.0(11) . .
C2G C3G C5G Cl1G 179.9(5) 2_575 .
C4G C3G C5G Cl1G -2.6(8) . .
C2G C3G C5G Cl1G -154(9) . .
C3G C3G C5G Cl1G -178.2(8) 2_575 .
C4G C1G C5G C3G 2.9(9) . .
C3G C1G C5G C2G 1.3(10) . 2_575
C4G C1G C5G C2G 4.2(18) . 2_575
C3G C1G C5G Cl1G -175(5) . .
C4G C1G C5G Cl1G -172(6) . .
C4G Cl1G C5G C3G 1.6(5) . .
C3G Cl1G C5G C1G 5(5) . .
C4G Cl1G C5G C1G 6(5) . .
C3G Cl1G C5G C2G 0.2(6) . 2_575
C4G Cl1G C5G C2G 1.8(9) . 2_575
