Information card for entry 4306085

Structure parameters

• Formula: C9 H32 B20
• Calculated formula: C9 H32 B20
• SMILES: [C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)CCCCC[C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121
• Title of publication: Ionic-Liquid-Promoted Decaborane Dehydrogenative Alkyne-Insertion Reactions: A New Route to o-Carboranes
• Authors of publication: Yuqi Li; Patrick J. Carroll; Larry G. Sneddon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9193 - 9202
• a: 13.537 ± 0.006 Å
• b: 11.577 ± 0.005 Å
• c: 13.75 ± 0.006 Å
• α: 90°
• β: 106.01 ± 0.03°
• γ: 90°
• Cell volume: 2071.3 ± 1.6 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• 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: 0.1781
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.2601
• Weighted residual factors for all reflections included in the refinement: 0.3136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No