Information card for entry 4118977

Structure parameters

• Formula: C32 H20 B N
• Calculated formula: C32 H20 B N
• SMILES: B12N(c3c(c4c1cccc4)ccc1c3cccc1)c1c(c3c2cccc3)ccc2c1cccc2
• 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: 10.1906 ± 0.0018 Å
• b: 10.1906 ± 0.0018 Å
• c: 17.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1618 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No