Information card for entry 7703225

Structure parameters

• Formula: C9 H16 B10 O
• Calculated formula: C9 H16 B10 O
• Title of publication: Palladium-catalyzed intramolecular dehydrogenative coupling of BH and OH: synthesis of carborane-fused benzoxaboroles.
• Authors of publication: Cui, Chun-Xiao; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1380 - 1383
• a: 12.8648 ± 0.0012 Å
• b: 7.0291 ± 0.0007 Å
• c: 14.895 ± 0.0014 Å
• α: 90°
• β: 90.789 ± 0.002°
• γ: 90°
• Cell volume: 1346.8 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No