Information card for entry 1507517

Structure parameters

• Formula: C23 H37 N O5 S Si
• Calculated formula: C23 H37 N O5 S Si
• SMILES: S(=O)(=O)(N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@]21C(=O)CCCC2)c1ccc(cc1)C
• Title of publication: Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements
• Authors of publication: Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.
• Journal of publication: Organic Letters
• Year of publication: 2001
• Journal volume: 3
• Journal issue: 13
• Pages of publication: 2109
• a: 10.6837 ± 0.0004 Å
• b: 6.2994 ± 0.0003 Å
• c: 18.8641 ± 0.0008 Å
• α: 90°
• β: 102.031 ± 0.003°
• γ: 90°
• Cell volume: 1241.68 ± 0.09 ų
• Cell temperature: 198.2 K
• Ambient diffraction temperature: 198.2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.221
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No