Microtubes and hollow microspheres formed by winding of nanoribbons from self-assembly of tetraphenylethylene amide macrocycles
Song Song; Hua-Fei Zheng; Hai-Tao Feng; Yan-Song Zheng; Chem.Commun. 50 (2014) 15212–; doi:10.1039/C4cc05390G

data_7116028
_publ_section_title
;
 Microtubes and hollow microspheres formed by winding of nanoribbons from
 self-assembly of tetraphenylethylene amide macrocycles
;
_journal_name_full               Chem.Commun.
_journal_page_first              15212
_journal_paper_doi               10.1039/C4cc05390G
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C70 H70 N6 O10'
_chemical_formula_weight         1155.32
_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                110.254(3)
_cell_angle_beta                 93.202(3)
_cell_angle_gamma                104.012(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3702(11)
_cell_length_b                   17.6226(19)
_cell_length_c                   20.220(3)
_cell_measurement_reflns_used    5358
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      31.64
_cell_measurement_theta_min      2.27
_cell_volume                     3003.2(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w 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  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0747
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            33098
_diffrn_reflns_theta_full        32.09
_diffrn_reflns_theta_max         32.09
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_T_max  0.9889
_exptl_absorpt_correction_T_min  0.9780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.424
_refine_diff_density_min         -0.295
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.975
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     779
_refine_ls_number_reflns         20454
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1149
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1038P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1972
_reflns_number_gt                11637
_reflns_number_total             20454
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc05390g2.cif
_cod_data_source_block           dm13284
_cod_original_cell_volume        3003.3(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7116028