Information card for entry 4135262

Structure parameters

• Formula: C8 H28 B11 N Si2
• Calculated formula: C8 H28 B11 N Si2
• SMILES: [Si](N([Si](C)(C)C)B1[C]2345[C]6781[BH]192[BH]2%106[BH]6%111[BH]1%12%10[BH]%10%13%14[BH]%153([BH]48%13[BH]721%10)[BH]6%12%14[BH]59%11%15)(C)(C)C
• Title of publication: Solution-Phase Synthesis of a Base-Free Benzoborirene and a Three-Dimensional Inorganic Analogue.
• Authors of publication: Zhang, Hui; Wang, Junyi; Yang, Weiguang; Xiang, Libo; Sun, Weicheng; Ming, Wenbo; Li, Yinxin; Lin, Zhenyang; Ye, Qing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.5798 ± 0.0009 Å
• b: 20.813 ± 0.002 Å
• c: 10.2723 ± 0.001 Å
• α: 90°
• β: 107.734 ± 0.003°
• γ: 90°
• Cell volume: 1950.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No