Information card for entry 7105465

Structure parameters

• Formula: C18 H22 B10
• Calculated formula: C18 H22 B10
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[CH]4%135[C]37%10%12/C=C/c1c2ccccc2cc2ccccc12
• Title of publication: Using the Wittig reaction to produce alkenylcarbaboranes.
• Authors of publication: Sousa-Pedrares, Antonio; Viñas, Clara; Teixidor, Francesc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 2998 - 3000
• a: 13.7778 ± 0.0003 Å
• b: 14.5476 ± 0.0003 Å
• c: 19.4191 ± 0.0004 Å
• α: 90°
• β: 97.082 ± 0.001°
• γ: 90°
• Cell volume: 3862.55 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No