Information card for entry 7222016

Structure parameters

• Formula: C22 H40 B10 O2 Si2
• Calculated formula: C22 H40 B10 O2 Si2
• SMILES: [Si](c1ccc(OC)cc1)(C)(C)C[C]1234[BH]567[BH]891[C]1%10%11(C[Si](C)(C)c%12ccc(OC)cc%12)[BH]%1228[BH]283[BH]31%12[BH]1%12%10[BH]59%11[BH]561[BH]23%12[BH]4785
• Title of publication: High-yielding and Facile Synthesis of Organosilicon Compounds containing m-Carboranylmethyl Group
• Authors of publication: Han, Xiaojie; Fei, Huafeng; Liu, Bozheng; Tan, Yongxia; Zhang, Xuezhong; Xie, Zemin; Zhang, Zhijie
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 35.83 ± 0.007 Å
• b: 12.211 ± 0.002 Å
• c: 6.5889 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2882.8 ± 0.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No