Information card for entry 1553420

Structure parameters

• Formula: C25 H48 N2 O5 S Si
• Calculated formula: C25 H48 N2 O5 S Si
• SMILES: S(=O)(N[C@H]([C@@H]1N(C(=O)OC(C)(C)C)C(=O)C=C1)CCO[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C
• Title of publication: A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline
• Authors of publication: Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 683
• a: 12.5809 ± 0.0003 Å
• b: 8.9728 ± 0.0002 Å
• c: 13.319 ± 0.0003 Å
• α: 90°
• β: 93.554°
• γ: 90°
• Cell volume: 1500.64 ± 0.06 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1561
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No