Information card for entry 4101452

Structure parameters

• Formula: C10 H19 B11
• Calculated formula: C10 H19 B11
• SMILES: [C]1234C5(Cc6c(C1)cccc6)[BH]167[BH]894[BH]4%103[BH]3%112[BH]251[BH]157[BH]769[BH]68%10[BH]843[BH]%1121[BH]5768
• Title of publication: Synthesis, structure, and reactivity of 13-vertex carboranes and 14-vertex metallacarboranes.
• Authors of publication: Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 5219 - 5230
• a: 29.9835 ± 0.0015 Å
• b: 6.9576 ± 0.0003 Å
• c: 14.8049 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1289
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No