Chalcogen atom modulated persistent room-temperature phosphorescence through intramolecular electronic coupling.
Xu, Letian; Li, Guoping; Xu, Tao; Zhang, Weidong; Zhang, Sikun; Yin, Shiwei; An, Zhongfu; He, Gang; Chemical communications (Cambridge, England) 54 (2018) 9226–9229; doi:10.1039/c8cc04734k

data_7122037
_publ_section_title
;
 Chalcogen atom modulated persistent room-temperature phosphorescence
 through intramolecular electronic coupling.
;
_journal_issue                   66
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              9226
_journal_page_last               9229
_journal_paper_doi               10.1039/c8cc04734k
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C24 H17 N Se'
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_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-03-21 deposited with the CCDC.
2018-07-23 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.45
_cell_volume                     1848.70(10)
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_min         2.450
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    2.037
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_exptl_crystal_description       BLOCK
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_refine_diff_density_max         0.431
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4254
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_refine_ls_R_factor_all          0.0310
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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^)+(0.0392P)^2^+0.7130P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0729
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_reflns_number_gt                3819
_reflns_number_total             4254
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc04734k2.cif
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_cod_depositor_comments
'Adding full bibliography for 7122035--7122037.cif.'
_cod_database_code               7122037
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