Information card for entry 4101451

Structure parameters

• Formula: C11 H21 B11
• Calculated formula: C11 H21 B11
• SMILES: C123[C]45(CCC1)[B]167(c8ccccc8)[BH]892[BH]2%103[BH]3%114[BH]451[BH]15%11[BH]%11%103[BH]392[BH]268[BH]741[BH]5%1132
• 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: 17.1638 ± 0.001 Å
• b: 12.4968 ± 0.0008 Å
• c: 30.4408 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6529.3 ± 0.7 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: 0.1593
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No