Information card for entry 7107624

Structure parameters

• Formula: C15 H18 B N O Si
• Calculated formula: C15 H18 B N O Si
• SMILES: C[Si](C)(C)OB1c2c(c3c(N1)cccc3)cccc2
• Title of publication: Rearrangement from the heteroantiaromatic borole to the heteroaromatic azaborine motif
• Authors of publication: Sunanda Biswas; Cacilia Maichle-Mossmer; Holger F. Bettinger
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4564
• a: 15.288 ± 0.002 Å
• b: 5.8962 ± 0.0005 Å
• c: 16.276 ± 0.002 Å
• α: 90°
• β: 94.042 ± 0.011°
• γ: 90°
• Cell volume: 1463.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No