1,8-Naphthalimide-Based Highly Emissive Luminophors with Various Mechanofluorochromism and Aggregation-Induced Characteristics.
Yin, Ya; Chen, Zhao; Fan, Congbin; Liu, Gang; Pu, Shouzhi; ACS omega 4 (2019) 14324–14332; doi:10.1021/acsomega.9b02110

data_4514932
_publ_section_title
;
 1,8-Naphthalimide-Based Highly Emissive Luminophors with Various
 Mechanofluorochromism and Aggregation-Induced Characteristics.
;
_journal_issue                   10
_journal_name_full               'ACS omega'
_journal_page_first              14324
_journal_page_last               14332
_journal_paper_doi               10.1021/acsomega.9b02110
_journal_volume                  4
_journal_year                    2019
_chemical_formula_sum            'C42 H33 N O2'
_chemical_formula_weight         583.69
_space_group_crystal_system      monoclinic
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_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
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 125.371(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.5161(12)
_cell_length_b                   30.572(4)
_cell_length_c                   13.2584(12)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.27
_cell_volume                     3145.3(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.1239
_diffrn_reflns_av_unetI/netI     0.1784
_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    0.075
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1232
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_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.220
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0294P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2339
_reflns_number_total             5509
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ao9b02110_si_002.cif
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_shelx_estimated_absorpt_t_max   0.984
_shelx_res_checksum              42257
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