Information card for entry 1575274

Structure parameters

• Chemical name: tCzAzBN
• Formula: C60 H60 B N3
• Calculated formula: C60 H60 B N3
• Title of publication: Strategic azepine engineering realizes highly efficient and stable blue narrowband light-emitting diodes.
• Authors of publication: Chen, Yi-Kuan; Lei, Jian; Chao, Yu-Chieh; Kung, Yu-Cheng; Hung, Wen-Yi; Hsu, Liang-Yan; Wu, Tien-Lin
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 9737 - 9748
• a: 15.8245 ± 0.0007 Å
• b: 9.6398 ± 0.0005 Å
• c: 32.533 ± 0.0014 Å
• α: 90°
• β: 101.82 ± 0.004°
• γ: 90°
• Cell volume: 4857.5 ± 0.4 ų
• Cell temperature: 100 ± 0.15 K
• Ambient diffraction temperature: 100 ± 0.15 K
• Number of distinct elements: 4
• 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: 0.1235
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.2198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No