Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.
Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi; Materials horizons 11 (2024) 3928–3934; doi:10.1039/d4mh00441h

data_1571771
_publ_section_title
;
 Optimizing the energy level alignment for achieving record-breaking
 efficiency in hot exciton deep red OLEDs.
;
_journal_issue                   16
_journal_name_full               'Materials horizons'
_journal_page_first              3928
_journal_page_last               3934
_journal_paper_doi               10.1039/d4mh00441h
_journal_volume                  11
_journal_year                    2024
_chemical_formula_sum            'C44 H32 N6'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2023-11-22 deposited with the CCDC.	2024-05-28 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_a                   8.9279(4)
_cell_length_b                   10.6851(4)
_cell_length_c                   35.7149(14)
_cell_measurement_temperature    100(2)
_cell_volume                     3398.0(2)
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -44
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_max         26.415
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_exptl_absorpt_coefficient_mu    0.076
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_exptl_crystal_size_max          0.120
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         6933
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0602
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0524P)^2^+1.8085P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1566
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_reflns_number_gt                4321
_reflns_number_total             6933
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4mh00441h1.cif
_cod_data_source_block           910a_0m
_cod_depositor_comments
'Adding full bibliography for 1571770--1571771.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1571771
_shelx_shelxl_version_number     2019/2
_shelx_estimated_absorpt_t_min   0.991
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_shelx_res_checksum              51547
_shelx_hkl_checksum              600