Information card for entry 4024023

Structure parameters

• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: N1C(=O)CCC[C@@H]1[C@@H](OCOC)C#C
• Title of publication: Short and Efficient Asymmetric Synthesis of (-)-α-Conhydrine
• Authors of publication: Arnaud Voituriez; Franck Ferreira; Fabrice Chemla
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 5358 - 5361
• a: 7.6149 ± 0.0006 Å
• b: 8.552 ± 0.0016 Å
• c: 16.5755 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1079.4 ± 0.3 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 4
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No