Information card for entry 7102771

Structure parameters

• Formula: C17 H27 N O Si
• Calculated formula: C17 H27 N O Si
• SMILES: [Si]([C@H]1[C@@H](C[C@]23[C@H]1CC[C@H]2C[C@@H](CC3=O)C)C#N)(C)(C)C.[Si]([C@@H]1[C@H](C[C@@]23[C@@H]1CC[C@@H]2C[C@H](CC3=O)C)C#N)(C)(C)C
• Title of publication: Intermolecular radical addition reactions of α-iodo cycloalkenones and a synthetic study of the formal synthesis of enantiopure fawcettimine
• Authors of publication: Liu, Kuan-Miao; Chau, Chi-Min; Sha, Chin-Kang
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 91 - 93
• a: 11.6687 ± 0.0008 Å
• b: 12.3423 ± 0.0009 Å
• c: 12.285 ± 0.0009 Å
• α: 90°
• β: 95.921 ± 0.002°
• γ: 90°
• Cell volume: 1759.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No