Information card for entry 1546935

Structure parameters

• Formula: C17 H29 N O3 Si
• Calculated formula: C17 H29 N O3 Si
• SMILES: [Si](C1=CC[C@@]23OC(=O)N[C@@]12OCC3)(C(C)C)(C(C)C)C(C)C.[Si](C1=CC[C@]23OC(=O)N[C@]12OCC3)(C(C)C)(C(C)C)C(C)C
• Title of publication: Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades
• Authors of publication: Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 8.9713 ± 0.0003 Å
• b: 12.6161 ± 0.0003 Å
• c: 31.4987 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3565.11 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No