Information card for entry 4025442

Structure parameters

• Formula: C25 H39 N O5 S Si
• Calculated formula: C25 H43 N O5 S Si
• SMILES: S(=O)(=O)(N1[C@H]([C@@H](C(=O)OC(C)(C)C)CC1)CCCO[Si](C(C)(C)C)(C)C)c1ccc(cc1)C
• Title of publication: Asymmetric Synthesis of 2-Alkyl-Substituted 2,5-Dihydropyrroles from Optically Active Aza-Baylis-Hillman Adducts. Formal Synthesis of (-)-Trachelanthamidine.
• Authors of publication: Shingo Ishikawa; Fumiaki Noguchi; Akio Kamimura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3578 - 3586
• a: 11.8985 ± 0.001 Å
• b: 10.8903 ± 0.0008 Å
• c: 11.9769 ± 0.0008 Å
• α: 90°
• β: 110.144 ± 0.002°
• γ: 90°
• Cell volume: 1457.01 ± 0.19 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 3.478
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No