Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent Organic Light-Emitting Diodes.
Lee, Young Hoon; Park, Sunghee; Oh, Jihun; Shin, Jong Won; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung; ACS applied materials & interfaces 9 (2017) 24035–24042; doi:10.1021/acsami.7b05615

data_4516639
_publ_section_title
;
 Rigidity-Induced Delayed Fluorescence by Ortho Donor-Appended
 Triarylboron Compounds: Record-High Efficiency in Pure Blue Fluorescent
 Organic Light-Emitting Diodes.
;
_journal_issue                   28
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              24035
_journal_page_last               24042
_journal_paper_doi               10.1021/acsami.7b05615
_journal_volume                  9
_journal_year                    2017
_chemical_formula_sum            'C36 H34 B N'
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_cell_angle_gamma                90
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_cell_length_b                   13.4058(4)
_cell_length_c                   16.2914(5)
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.19
_cell_volume                     2810.84(15)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
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_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            37519
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.342
_diffrn_reflns_theta_min         1.982
_exptl_absorpt_coefficient_mu    0.066
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_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.210
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5134
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0626
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0701P)^2^+0.6470P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1220
_refine_ls_wR_factor_ref         0.1353
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_reflns_number_gt                4010
_reflns_number_total             5134
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am7b05615_si_004.cif
_cod_data_source_block           CzpB
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4516639
_shelxl_version_number           2014-3
_shelx_res_checksum              20890
_shelx_hkl_checksum              87413