Information card for entry 7235182

Structure parameters

• Formula: C47 H35 B F N3
• Calculated formula: C47 H35 B F N3
• SMILES: [B]1([n]2c(c3c1cc(cc3)F)cccc2)(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Efficient thermally activated delayed fluorescence of functional phenylpyridinato boron complexes and high performance organic light-emitting diodes
• Authors of publication: Yi-Jiun Shiu; Yi-Ting Chen; Wei-Kai Lee; Chung-Chih Wu; Tzu-Chieh Lin; Shih-Hung Liu; Pi-Tai Chou; Chin-Wei Lu; I-Chen Cheng; Yi-Jyun Lien; Yun Chi
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 1452 - 1462
• a: 9.7399 ± 0.0005 Å
• b: 13.7142 ± 0.0008 Å
• c: 14.6944 ± 0.0008 Å
• α: 101.835 ± 0.003°
• β: 95.538 ± 0.002°
• γ: 110.288 ± 0.002°
• Cell volume: 1771.61 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No