Information card for entry 1543430

Structure parameters

• Formula: C4 H14 B10 O2
• Calculated formula: C4 H14 B10 O2
• Title of publication: [3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane
• Authors of publication: Zhao, Da; Xie, Zuowei
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5635
• a: 9.9852 ± 0.0004 Å
• b: 10.521 ± 0.0005 Å
• c: 22.3329 ± 0.0009 Å
• α: 90°
• β: 97.84 ± 0.003°
• γ: 90°
• Cell volume: 2324.24 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2063
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2933
• Weighted residual factors for all reflections included in the refinement: 0.3778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No