Information card for entry 4306086

Structure parameters

• Formula: C10 H16 B10
• Calculated formula: C10 H16 B10
• 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)c1cc(ccc1)C#C
• 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: 11.138 ± 0.002 Å
• b: 11.5039 ± 0.0019 Å
• c: 10.857 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1391.1 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0507
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No