Supramolecular vesicle: triggered by formation of pseudorotaxane between cucurbit[6]uril and surfactant
Qiongbo Zhou; Hao Wang; Tian Gao; Yue Yu; Bokai Ling; Lu Mao; Haibo Zhang; Xianggao Meng; Xiaohai Zhou; Chem.Commun. 47 (2011) 11315–; doi:10.1039/c1cc11359c

data_7106931
_publ_section_title
;
 Supramolecular vesicle: triggered by formation of pseudorotaxane between
 cucurbit[6]uril and surfactant
;
_journal_name_full               Chem.Commun.
_journal_page_first              11315
_journal_paper_doi               10.1039/c1cc11359c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C70 H104 Br2 N28 O20'
_chemical_formula_weight         1817.63
_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                70.259(2)
_cell_angle_beta                 77.455(2)
_cell_angle_gamma                80.448(2)
_cell_formula_units_Z            4
_cell_length_a                   15.2922(18)
_cell_length_b                   22.693(3)
_cell_length_c                   26.547(3)
_cell_measurement_reflns_used    2964
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      19.00
_cell_measurement_theta_min      2.23
_cell_volume                     8421.0(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2174
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            29406
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    1.048
_exptl_absorpt_correction_T_max  0.9398
_exptl_absorpt_correction_T_min  0.8502
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3800
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.137
_refine_diff_density_min         -1.174
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     2237
_refine_ls_number_reflns         29406
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.952
_refine_ls_R_factor_all          0.2398
_refine_ls_R_factor_gt           0.1227
_refine_ls_shift/su_max          2.508
_refine_ls_shift/su_mean         0.071
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1826P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3080
_refine_ls_wR_factor_ref         0.3671
_reflns_number_gt                10894
_reflns_number_total             29406
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11359c.txt
_cod_data_source_block           091228cm
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106931