Information card for entry 4022268

Structure parameters

• Formula: C10 H14 F N O3
• Calculated formula: C10 H14 F N O3
• SMILES: F[C@@H]1[C@H]2CC[C@@H](CC1=O)N2C(=O)OCC
• Title of publication: Enantioselective Epoxidation of Alkenes Catalyzed by 2-Fluoro-N-Carbethoxytropinone and Related Tropinone Derivatives
• Authors of publication: Alan Armstrong; Ghafoor Ahmed; Belén Domínguez-Fernández; Barry R. Hayter; J. Steven Wailes
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 8610 - 8617
• a: 6.439 ± 0.002 Å
• b: 7.68 ± 0.002 Å
• c: 20.619 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1019.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No