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_7212400
_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         'C43 H34 N4 '
_chemical_formula_sum            'C43 H34 N4'
_chemical_formula_weight         606.77
_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                 100.1372(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.5817(3)
_cell_length_b                   11.9938(2)
_cell_length_c                   17.3483(3)
_cell_measurement_reflns_used    50331
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      71.6
_cell_measurement_theta_min      3.4
_cell_volume                     3396.33(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 0.9917
_diffrn_measured_fraction_theta_max 0.9917
_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  0.036
_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       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            65569
_diffrn_reflns_theta_full        71.67
_diffrn_reflns_theta_max         71.67
_exptl_absorpt_coefficient_mu    0.540
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.100
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_refine_diff_density_min         -0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.112
_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         6586
_refine_ls_R_factor_gt           0.0493
_refine_ls_shift/su_max          0.0073
_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         0.1623
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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_cod_data_source_block           CN-BFlAB
_cod_original_cell_volume        3396.3(1)
_cod_original_formula_sum        'C43 H34 N4 '
_cod_database_code               7212400