Information card for entry 7048848

Structure parameters

• Formula: C12 H10 B N
• Calculated formula: C12 H10 B N
• Title of publication: A BN anthracene mimics the electronic structure of more highly conjugated systems.
• Authors of publication: Ishibashi, Jacob S. A.; Darrigan, Clovis; Chrostowska, Anna; Li, Bo; Liu, Shih-Yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2807 - 2812
• a: 9.2912 ± 0.0005 Å
• b: 6.0861 ± 0.0003 Å
• c: 8.3411 ± 0.0005 Å
• α: 90°
• β: 102.492 ± 0.003°
• γ: 90°
• Cell volume: 460.5 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No