Information card for entry 1518676

Structure parameters

• Formula: C17 H25 N O2 Si
• Calculated formula: C17 H25 N O2 Si
• SMILES: [Si](C1=C2C(CNC(=O)c3c(cccc3)C2)CC1)(C)(C)C.O
• Title of publication: Rhodium-catalyzed C‒H functionalization-based approach to eight-membered lactams
• Authors of publication: Wu, Shangze; Zeng, Rong; Fu, Chunling; Yu, Yihua; Zhang, Xue; Ma, Shengming
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2275
• a: 7.8451 ± 0.0006 Å
• b: 10.8055 ± 0.001 Å
• c: 41.681 ± 0.003 Å
• α: 90°
• β: 92.188 ± 0.005°
• γ: 90°
• Cell volume: 3530.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1392
• Residual factor for significantly intense reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.2419
• Weighted residual factors for all reflections included in the refinement: 0.2672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No