Information card for entry 4119271

Structure parameters

• Formula: C20 H28 B N Si2
• Calculated formula: C20 H28 B N Si2
• SMILES: B1(C(=C1c1ccccc1)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity
• Authors of publication: Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 1903 - 1911
• a: 8.308 ± 0.0005 Å
• b: 9.4176 ± 0.0006 Å
• c: 13.338 ± 0.0008 Å
• α: 94.437 ± 0.002°
• β: 96.989 ± 0.003°
• γ: 92.319 ± 0.002°
• Cell volume: 1031.41 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.041
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No