Information card for entry 1542639

Structure parameters

• Formula: C16 H28 F N O5
• Calculated formula: C16 H28 F N O5
• SMILES: F[C@H]([C@@H]1OC(N([C@H]1CC(C)C)C(=O)OC(C)(C)C)(C)C)C(=O)O
• Title of publication: Diastereoselective Synthesis and Conformational Analysis of (2R)- and (2S)-Fluorostatines: An Approach Based on Organocatalytic Fluorination of a Chiral Aldehyde.
• Authors of publication: Hu, Xiang-Guo; Lawer, Aggie; Peterson, Matthew B.; Iranmanesh, Hasti; Ball, Graham E.; Hunter, Luke
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 662 - 665
• a: 32.528 ± 0.007 Å
• b: 6.026 ± 0.0012 Å
• c: 9.305 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No