Photoinduced vitrification near the surfaces of single crystals of azobenzene-based molecular materials with glass-forming ability.
Nakano, Hideyuki; Seki, Shu; Kageyama, Hiroshi; Physical chemistry chemical physics : PCCP 12 (2010) 7772–7774; doi:10.1039/b926570h

data_7212401
_publ_section_title
;
 Photoinduced vitrification near the surfaces of single crystals of
 azobenzene-based molecular materials with glass-forming ability.
;
_journal_issue                   28
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              7772
_journal_page_last               7774
_journal_paper_doi               10.1039/b926570h
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C42 H34 N4 O2 '
_chemical_formula_sum            'C42 H34 N4 O2'
_chemical_formula_weight         626.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.7497(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.5256(3)
_cell_length_b                   12.1737(2)
_cell_length_c                   17.4298(3)
_cell_measurement_reflns_used    50898
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      71.5
_cell_measurement_theta_min      3.4
_cell_volume                     3444.95(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SAPI90
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9932
_diffrn_measured_fraction_theta_max 0.9932
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5419
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            66349
_diffrn_reflns_theta_full        71.58
_diffrn_reflns_theta_max         71.58
_exptl_absorpt_coefficient_mu    0.593
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.14
_refine_diff_density_min         -0.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.132
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     433
_refine_ls_number_reflns         6680
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.0075
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1629
_reflns_number_gt                5149
_reflns_number_total             6680
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b926570h_2.txt
_cod_data_source_block           NO2-BFlAB
_cod_original_cell_volume        3444.9(1)
_cod_original_formula_sum        'C42 H34 N4 O2 '
_cod_database_code               7212401