Information card for entry 4118978

Structure parameters

• Formula: C35 H25 B Br2 N
• Calculated formula: C35 H25 B Br2 N
• Title of publication: Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality
• Authors of publication: Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19600 - 19603
• a: 9.696 ± 0.003 Å
• b: 12.111 ± 0.004 Å
• c: 23.872 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2803.2 ± 1.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No