Information card for entry 4075035

Structure parameters

• Formula: C8 H8 B N
• Calculated formula: C8 H8 B N
• Title of publication: Syntheses of Ring-Fused B−N Heteroaromatic Compounds
• Authors of publication: Fang, Xiangdong; Yang, Hong; Kampf, Jeff W.; Banaszak Holl, Mark M.; Ashe, Arthur J.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 513
• a: 7.961 ± 0.002 Å
• b: 5.989 ± 0.0018 Å
• c: 8.112 ± 0.002 Å
• α: 90°
• β: 114.284 ± 0.007°
• γ: 90°
• Cell volume: 352.55 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No