Organic emitter integrating aggregation-induced delayed fluorescence and room-temperature phosphorescence characteristics, and its application in time-resolved luminescence imaging.
Ni, Fan; Zhu, Zece; Tong, Xiao; Xie, Mingjuan; Zhao, Qiang; Zhong, Cheng; Zou, Yang; Yang, Chuluo; Chemical science 9 (2018) 6150–6155; doi:10.1039/c8sc01485j

data_1549621
_publ_section_title
;
 Organic emitter integrating aggregation-induced delayed fluorescence and
 room-temperature phosphorescence characteristics, and its application in
 time-resolved luminescence imaging.
;
_journal_issue                   28
_journal_name_full               'Chemical science'
_journal_page_first              6150
_journal_page_last               6155
_journal_paper_doi               10.1039/c8sc01485j
_journal_volume                  9
_journal_year                    2018
_chemical_formula_sum            'C33 H22 N4 O'
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_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-08-06 deposited with the CCDC.
2018-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.259(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   13.636(2)
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.20
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_cell_volume                     2482.5(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_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
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            44104
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_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.703
_diffrn_reflns_theta_min         1.824
_exptl_absorpt_coefficient_mu    0.081
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_description       block
_exptl_crystal_F_000             1024
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_refine_diff_density_rms         0.036
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6395
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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^)+(0.0668P)^2^+0.3614P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4091
_reflns_number_total             6395
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8sc01485j2.cif
_cod_data_source_block           Z201601A
_cod_depositor_comments
'Adding full bibliography for 1549621--1549623.cif.'
_cod_original_cell_volume        2482.7(7)
_cod_database_code               1549621
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              69172