Information card for entry 1517921

Structure parameters

• Common name: Boron nitrogen hydroxide
• Formula: C8 H14 B N O
• Calculated formula: C8 H14 B N O
• SMILES: O[B]12[NH](CC=CC1)CC=CC2
• Title of publication: Palladium-catalyzed cross-coupling reactions of 4a,8a-azaboranaphthalene.
• Authors of publication: Sun, Feiye; Lv, Lily; Huang, Min; Zhou, Zhaohui; Fang, Xiangdong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5024 - 5027
• a: 12.816 ± 0.001 Å
• b: 7.3282 ± 0.0006 Å
• c: 17.716 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1663.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No