Information card for entry 1564334

Structure parameters

• Formula: C27 H33 N O2 Si2
• Calculated formula: C27 H33 N O2 Si2
• SMILES: [Si](CC1(c2c([Si](C)(C)O)cccc2)C(=O)N(Cc2ccccc2)c2ccccc12)(C)(C)C
• 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: 9.5504 ± 0.0009 Å
• b: 25.159 ± 0.003 Å
• c: 10.9734 ± 0.0011 Å
• α: 90°
• β: 93.671 ± 0.001°
• γ: 90°
• Cell volume: 2631.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No