High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.
Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui; Chemical science 13 (2021) 159–169; doi:10.1039/d1sc05753g

data_1565580
_publ_section_title
;
 High-efficiency hyperfluorescent white light-emitting diodes based on
 high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and
 energy gap effects.
;
_journal_issue                   1
_journal_name_full               'Chemical science'
_journal_page_first              159
_journal_page_last               169
_journal_paper_doi               10.1039/d1sc05753g
_journal_volume                  13
_journal_year                    2021
_chemical_formula_moiety         'C33 H23 N4 O P'
_chemical_formula_sum            'C33 H23 N4 O P'
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
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_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2021-07-28 deposited with the CCDC.	2021-11-25 downloaded from the CCDC.
;
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_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -33
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1414 before and 0.0778 after correction. The Ratio of minimum to maximum transmission is 0.6778. The \l/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
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_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1125P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1657
_refine_ls_wR_factor_ref         0.2307
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2643
_reflns_number_total             5308
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1sc05753g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 1565578--1565580.cif.'
_cod_database_code               1565580
_shelx_shelxl_version_number     2018/3
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C2(H2), C17(H17), C18(H18), C8(H8), C33(H33), C11(H11), C5(H5),
 C9(H9), C10(H10), C26(H26), C19(H19), C20(H20), C4(H4), C29(H29), C3(H3),
 C30(H30), C22(H22), C32(H32), C31(H31), C25(H25), C23(H23), C24(H24)
;
_shelx_res_checksum              86147
_shelx_hkl_checksum              75481
_olex2_submission_special_instructions 'No special instructions were received'