Information card for entry 4074745

Structure parameters

• Formula: C9 H36 B20
• Calculated formula: C9 H36 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)C/C=C/CCCC[B]1234[BH]567[BH]89%10[BH]%11%12%13[BH]69%14[BH]6%12([BH]25%11[H]3)[H][BH]26%13[H][BH]28%14[BH]17%10[H]4
• Title of publication: Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives
• Authors of publication: Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 609
• a: 16.9806 ± 0.0015 Å
• b: 19.8734 ± 0.0017 Å
• c: 6.9346 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2340.2 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No