A simple and effective strategy to lock the quasi-equatorial conformation of acridine by H-H repulsion for highly efficient thermally activated delayed fluorescence emitters.
Chai, Danyang; Zeng, Xuan; Su, Xiaoxuan; Zhou, Changjiang; Zou, Yang; Zhong, Cheng; Gong, Shaolong; Yang, Chuluo; Chemical communications (Cambridge, England) 56 (2020) 2308–2311; doi:10.1039/c9cc09769d

data_7126109
_publ_section_title
;
 A simple and effective strategy to lock the quasi-equatorial conformation
 of acridine by H-H repulsion for highly efficient thermally activated
 delayed fluorescence emitters.
;
_journal_issue                   15
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2308
_journal_page_last               2311
_journal_paper_doi               10.1039/c9cc09769d
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C45 H37 N5'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-12-08 deposited with the CCDC.	2020-01-07 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           CuK\a
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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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^)+(0.0664P)^2^+0.3810P] where P=(Fo^2^+2Fc^2^)/3'
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