Information card for entry 7718188

Structure parameters

• Formula: C9 H21 B10 N O
• Calculated formula: C9 H21 B10 N O
• Title of publication: Palladium-catalyzed intramolecular oxidative annulation: synthesis of <i>o</i>-carboranoxazoles.
• Authors of publication: Rao, Hui; Jia, Hairui; Qiu, Zaozao; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 4866 - 4870
• a: 11.6871 ± 0.0004 Å
• b: 11.0137 ± 0.0004 Å
• c: 12.6106 ± 0.0005 Å
• α: 90°
• β: 110.678 ± 0.002°
• γ: 90°
• Cell volume: 1518.65 ± 0.1 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No