Information card for entry 1564335

Structure parameters

• Formula: C24 H22 Cl N O Si
• Calculated formula: C24 H22 Cl N O Si
• SMILES: Clc1cc2N(Cc3ccccc3)C(=O)C3(c4c([Si](C)(C3)C)cccc4)c2cc1
• Title of publication: Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement
• Authors of publication: Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.468 ± 0.007 Å
• b: 10.762 ± 0.009 Å
• c: 13.404 ± 0.011 Å
• α: 112.361 ± 0.01°
• β: 99.502 ± 0.011°
• γ: 100.767 ± 0.011°
• Cell volume: 1071.7 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No