Information card for entry 7105464

Structure parameters

• Formula: C22 H34 B20
• Calculated formula: C22 H34 B20
• SMILES: [BH]1234[C]567([BH]89%10[CH]%1115[BH]158[BH]83%11[BH]3%114[BH]426[BH]279[BH]634[BH]%1012[BH]58%116)/C=C/c1c2ccccc2c(/C=C/[C]2345[BH]678[BH]9%102[BH]2%113[BH]3%124[CH]458[BH]586[BH]679[BH]7%102[BH]2%113[BH]%1245[BH]8672)c2ccccc12
• 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: 6.7914 ± 0.0002 Å
• b: 21.74 ± 0.0007 Å
• c: 9.7036 ± 0.0003 Å
• α: 90°
• β: 104.8 ± 0.002°
• γ: 90°
• Cell volume: 1385.16 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1223
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.381
• Weighted residual factors for all reflections included in the refinement: 0.3995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No