Information card for entry 4135311

Structure parameters

• Formula: C38 H28 B N
• Calculated formula: C38 H28 B N
• Title of publication: B/N-Doped p-Arylenevinylene Chromophores: Synthesis, Properties, and Microcrystal Electron Crystallographic Study
• Authors of publication: Lu, Hua; Nakamuro, Takayuki; Yamashita, Keitaro; Yanagisawa, Haruaki; Nureki, Osamu; Kikkawa, Masahide; Gao, Han; Tian, Jiangwei; Shang, Rui; Nakamura, Eiichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.6701 ± 0.0006 Å
• b: 15.1062 ± 0.0009 Å
• c: 8.7738 ± 0.0006 Å
• α: 90°
• β: 102.335 ± 0.004°
• γ: 90°
• Cell volume: 1381.56 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0654
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No