Integrating TADF luminogens with AIE characteristics using a novel acridine‒carbazole hybrid as donor for high-performance and low efficiency roll-off OLEDs
Zhang, Qing; Sun, Shuaiqiang; Liu, Wei; Leng, Panpan; Lv, Xialei; Wang, Yaxiong; Chen, Hongting; Ye, Shaofeng; Zhuang, Shaoqing; Wang, Lei; Journal of Materials Chemistry C 7 (2019) 9487–; doi:10.1039/C9TC01329F

data_7237801
_publ_section_title
;
 Integrating TADF luminogens with AIE characteristics using a novel
 acridine--carbazole hybrid as donor for high-performance and low
 efficiency roll-off OLEDs
;
_journal_issue                   31
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              9487
_journal_paper_doi               10.1039/C9TC01329F
_journal_volume                  7
_journal_year                    2019
_chemical_formula_moiety         ' 2(C49 H36 N4), 3(C H Cl3)'
_chemical_formula_sum            'C101 H75 Cl9 N8'
_chemical_formula_weight         1719.74
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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
;
2018-11-07 deposited with the CCDC.	2019-04-16 downloaded from the CCDC.
;
_cell_angle_alpha                68.3560(10)
_cell_angle_beta                 87.7310(10)
_cell_angle_gamma                72.4060(10)
_cell_formula_units_Z            1
_cell_length_a                   9.2204(2)
_cell_length_b                   14.1323(2)
_cell_length_c                   18.1564(3)
_cell_measurement_reflns_used    39372
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.4710
_cell_measurement_theta_min      2.6250
_cell_volume                     2089.29(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53339
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.868
_diffrn_reflns_theta_min         2.627
_exptl_absorpt_coefficient_mu    3.191
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.37897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light yellow green'
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       block
_exptl_crystal_F_000             890
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.139
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     695
_refine_ls_number_reflns         8344
_refine_ls_number_restraints     1243
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0573
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0696P)^2^+1.8972P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1448
_refine_ls_wR_factor_ref         0.1458
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7951
_reflns_number_total             8344
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9tc01329f2.cif
_cod_data_source_block           34AcCz-PM
_cod_database_code               7237801
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.401
_shelx_estimated_absorpt_t_max   0.741
_shelx_res_checksum              70752
_shelx_hkl_checksum              62475