Information card for entry 4119273

Structure parameters

• Formula: C16 H42 B3 N5 Si2
• Calculated formula: C16 H42 B3 N5 Si2
• SMILES: [Si](N(B1C(=C1B(N(C)C)N(C)C)B(N(C)C)N(C)C)[Si](C)(C)C)(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: 27.347 ± 0.004 Å
• b: 9.5289 ± 0.0014 Å
• c: 20.081 ± 0.003 Å
• α: 90°
• β: 104.863 ± 0.007°
• γ: 90°
• Cell volume: 5057.8 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No