Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet–triplet splittings
Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian; Chem. Sci. 7 (2016) 3355–; doi:10.1039/C5SC04755B

data_1542427
_publ_section_title
;
 Highly efficient blue thermally activated delayed fluorescent OLEDs with
 record-low driving voltages utilizing high triplet energy hosts with
 small singlet--triplet splittings
;
_journal_issue                   5
_journal_name_full               'Chem. Sci.'
_journal_page_first              3355
_journal_paper_doi               10.1039/C5SC04755B
_journal_volume                  7
_journal_year                    2016
_chemical_absolute_configuration unk
_chemical_formula_moiety         'C31 H19 N3'
_chemical_formula_sum            'C31 H19 N3'
_chemical_formula_weight         433.49
_chemical_name_systematic        2,4-2CzBN
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_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
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  Olex2 1.1
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2015-12-08 deposited with the CCDC.
2016-02-12 downloaded from the CCDC.
;
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_cell_angle_gamma                90.00
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_cell_length_b                   14.0892(12)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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_computing_molecular_graphics
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O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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'A short history of SHELX (Sheldrick, 2007)/Bruker'
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_diffrn_measurement_details
;
  1 omega  -63.00    5.00   1.0000    3.5800
omega____ theta____ kappa____ phi______ frames
    -      -13.6043  -37.0000   30.0000 68

  2 omega   32.00   82.00   1.0000    3.5800
omega____ theta____ kappa____ phi______ frames
    -       18.9168   37.0000    0.0000 50

  3 omega  -44.00   34.00   1.0000    3.5800
omega____ theta____ kappa____ phi______ frames
    -       18.9168  -77.0000   60.0000 78

  4 omega   34.00   86.00   1.0000    3.5800
omega____ theta____ kappa____ phi______ frames
    -       18.9168   71.0000 -169.0000 52
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
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_diffrn_radiation_monochromator  graphite
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.317
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             904
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_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -1(2)
_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0416P)^2^+0.1982P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0784
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                3343
_reflns_number_total             3569
_reflns_threshold_expression     >2sigma(I)
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'Adding full bibliography for 1542427--1542429.cif.'
_cod_database_code               1542427
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