Information card for entry 4135263

Structure parameters

• Formula: C19 H48 B11 N3 Si2
• Calculated formula: C19 H48 B11 N3 Si2
• SMILES: [Si](C)(C)([C]1234[C]567([B](=N[Si](C)(C)C)=C8N(C(C)C)C(=C(N8C(C)C)C)C)[BH]89%10[BH]%11%125[BH]5%138[BH]8%14%11[BH]16%12[BH]148[BH]463[BH]279[BH]%10%136[BH]5%1414)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: 9.6845 ± 0.0005 Å
• b: 19.2174 ± 0.0011 Å
• c: 16.6527 ± 0.0008 Å
• α: 90°
• β: 92.683 ± 0.002°
• γ: 90°
• Cell volume: 3095.9 ± 0.3 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104.02 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No