Information card for entry 4135261

Structure parameters

• Formula: C23 H42 B N3 Si2
• Calculated formula: C23 H42 B N3 Si2
• SMILES: [Si](c1c([B](=N[Si](C)(C)C)=C2N(C(C)C)C(C)=C(N2C(C)C)C)cccc1)(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: 9.632 ± 0.0005 Å
• b: 10.2599 ± 0.0006 Å
• c: 13.7887 ± 0.0007 Å
• α: 91.44 ± 0.002°
• β: 98.925 ± 0.002°
• γ: 99.721 ± 0.002°
• Cell volume: 1324.97 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No