Information card for entry 7150958

Structure parameters

• Formula: C13 H20 Cl3 N O2 Si
• Calculated formula: C13 H20 Cl3 N O2 Si
• Title of publication: A new synthetic approach to (+)-lactacystin based on radical cyclisation of enantiopure α-ethynyl substituted serine derivatives to 4-methylenepyrrolidinones
• Authors of publication: Pattenden, Gerald; Rescourio, Gwenaëlla
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3428 - 3438
• a: 8.03 ± 0.002 Å
• b: 10.027 ± 0.002 Å
• c: 22.837 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No