Information card for entry 4515393

Structure parameters

• Formula: C36 H34 B N O
• Calculated formula: C36 H34 B N O
• SMILES: B(c1ccc(N2c3c(Oc4c2cccc4)cccc3)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Optically Triggered Planarization of Boryl-Substituted Phenoxazine: Another Horizon of TADF Molecules and High-Performance OLEDs.
• Authors of publication: Chen, Deng-Gao; Lin, Tzu-Chieh; Chen, Chi-Lin; Chen, Yi-Ting; Chen, Yi-An; Lee, Gene-Hsiang; Chou, Pi-Tai; Liao, Chia-Wei; Chiu, Po-Chen; Chang, Chih-Hao; Lien, Yi-Jyun; Chi, Yun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 12886 - 12896
• a: 13.1953 ± 0.0002 Å
• b: 13.2886 ± 0.0002 Å
• c: 16.2248 ± 0.0003 Å
• α: 90°
• β: 103.28 ± 0.0005°
• γ: 90°
• Cell volume: 2768.9 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No