Interpenetrating single helical capsules.
Berni, Emanuela; Garric, Joachim; Lamit, Corinne; Kauffmann, Brice; Léger, Jean-Michel; Huc, Ivan; Chemical communications (Cambridge, England)  (2008) 1968–1970; doi:10.1039/b719712h

data_7103096
_publ_section_title
;
 Interpenetrating single helical capsules.
;
_journal_issue                   17
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1968
_journal_page_last               1970
_journal_paper_doi               10.1039/b719712h
_journal_year                    2008
_chemical_formula_sum            'C243 H244 Cl16 N48 O41'
_chemical_formula_weight         5060.06
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 111.432(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.634(2)
_cell_length_b                   37.289(4)
_cell_length_c                   29.467(3)
_cell_measurement_temperature    133(2)
_cell_volume                     24173(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.784
_diffrn_measured_fraction_theta_max 0.784
_diffrn_measurement_device_type  'Rigaku RAXIS Rapid'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'micro-focus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0901
_diffrn_reflns_av_sigmaI/netI    0.1575
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            86679
_diffrn_reflns_theta_full        72.99
_diffrn_reflns_theta_max         72.99
_diffrn_reflns_theta_min         6.55
_exptl_absorpt_coefficient_mu    2.360
_exptl_absorpt_correction_T_max  0.7982
_exptl_absorpt_correction_T_min  0.6497
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             10552
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.890
_refine_diff_density_min         -0.872
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3172
_refine_ls_number_reflns         37901
_refine_ls_number_restraints     3117
_refine_ls_restrained_S_all      8.816
_refine_ls_R_factor_all          0.1998
_refine_ls_R_factor_gt           0.1228
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1874P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3253
_refine_ls_wR_factor_ref         0.3707
_reflns_number_gt                13235
_reflns_number_total             37901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b719712h.txt
_cod_data_source_block           eb172
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7103096