Stimulus-responsive azobenzene supramolecules: fibers, gels, and hollow spheres.
Lee, Sumi; Oh, Seungwhan; Lee, Joosub; Malpani, Yashwardhan; Jung, Young-Sik; Kang, Baotao; Lee, Jin Yong; Ozasa, Kazunari; Isoshima, Takashi; Lee, Sang Yun; Hara, Masahiko; Hashizume, Daisuke; Kim, Jong-Man; Langmuir : the ACS journal of surfaces and colloids 29 (2013) 5869–5877; doi:10.1021/la400159m

data_4507884
_publ_section_title
;
 Stimulus-responsive azobenzene supramolecules: fibers, gels, and hollow
 spheres.
;
_journal_issue                   19
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_page_first              5869
_journal_page_last               5877
_journal_paper_doi               10.1021/la400159m
_journal_volume                  29
_journal_year                    2013
_chemical_formula_moiety         'C30 H22 N6 O2'
_chemical_formula_sum            'C30 H22 N6 O2'
_chemical_formula_weight         498.54
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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
_cell_angle_beta                 103.160(4)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   59.367(7)
_cell_length_b                   4.7106(5)
_cell_length_c                   39.948(4)
_cell_measurement_reflns_used    38216
_cell_measurement_temperature    90
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      1.39
_cell_volume                     10878(2)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'ORTEP-3 for Windows'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  SHELXL-97
_computing_structure_solution    SIR2002
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku AFC-8 with Saturn70 CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1299
_diffrn_reflns_av_sigmaI/netI    0.3447
_diffrn_reflns_limit_h_max       70
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            35007
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         1.39
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    0.913
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.323
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.793
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     534
_refine_ls_number_reflns         9588
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      0.793
_refine_ls_R_factor_all          0.2300
_refine_ls_R_factor_gt           0.1050
_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/[\s^2^(Fo^2^)+(0.1226P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2511
_refine_ls_wR_factor_ref         0.2858
_reflns_number_gt                2479
_reflns_number_total             9588
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            la400159m_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        10878.4(19)
_cod_original_sg_symbol_Hall     '-C 2cy'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4507884