Information card for entry 4079769

Structure parameters

• Formula: C8 H28 B11 P
• Calculated formula: C8 H28 B11 P
• SMILES: [P](C(C)C)(C(C)C)([BH3])[B]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%1112[BH]124[BH]68([CH]7351)[CH]9%10%112
• Title of publication: Extremely Electron-Rich, Boron-Functionalized, Icosahedral Carborane-Based Phosphinoboranes.
• Authors of publication: Spokoyny, Alexander M.; Lewis, Calvin D.; Teverovskiy, Georgiy; Buchwald, Stephen L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8478 - 8481
• a: 12.652 ± 0.002 Å
• b: 9.6243 ± 0.0016 Å
• c: 13.932 ± 0.002 Å
• α: 90°
• β: 92.408 ± 0.003°
• γ: 90°
• Cell volume: 1695 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No