Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based on Amorphous Phase to Crystalline Transformation with High “Off–On” Contrast Ratio
Zheng, Xiaokun; Zheng, Yue; Peng, Lu; Xiang, Yu; Tong, Aijun; The Journal of Physical Chemistry C 121 (2017) 21610–; doi:10.1021/acs.jpcc.7b06920

data_1547280
_publ_section_title
;
 Mechanoresponsive Fluorescence of 2-Aminobenzophenone Derivatives Based
 on Amorphous Phase to Crystalline Transformation with High
 &#x201C;Off--On&#x201D; Contrast Ratio
;
_journal_issue                   39
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              21610
_journal_paper_doi               10.1021/acs.jpcc.7b06920
_journal_volume                  121
_journal_year                    2017
_chemical_formula_moiety         'C13 H9 Cl2 N O'
_chemical_formula_sum            'C13 H9 Cl2 N O'
_chemical_formula_weight         266.11
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_beta                 96.36(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9855(16)
_cell_length_b                   9.6318(19)
_cell_length_c                   16.342(3)
_cell_measurement_reflns_used    3276
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      2.1
_cell_volume                     1249.2(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      295(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Saturn724 (4x4 bin mode)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10998
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.904
_diffrn_reflns_theta_min         2.458
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_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8626
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_exptl_crystal_colour            colorless
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0010P)^2^+2.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1018
_refine_ls_wR_factor_ref         0.1100
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2486
_reflns_number_total             2970
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jp7b06920_si_002.cif
_cod_data_source_block           abc
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 1547280--1547282.cif.
;
_cod_database_code               1547280
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              1123
_shelx_hkl_checksum              25011