Information card for entry 4135310

Structure parameters

• Formula: C102 B2 N2
• Calculated formula: C102 B2 N2
• 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: 10.54 ± 0.04 Å
• b: 13.48 ± 0.05 Å
• c: 14.6 ± 0.1 Å
• α: 76.4 ± 0.2°
• β: 82.4 ± 0.2°
• γ: 76.5 ± 0.2°
• Cell volume: 1954 ± 17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3542
• Residual factor for significantly intense reflections: 0.2429
• Weighted residual factors for significantly intense reflections: 0.5948
• Weighted residual factors for all reflections included in the refinement: 0.6149
• Goodness-of-fit parameter for all reflections included in the refinement: 2.32
• Diffraction radiation wavelength: 0.0251 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No