Information card for entry 7153376

Structure parameters

• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O1C(=O)N(Cc2ccc(OC)cc2)[C@@H]2[C@H]1[C@@H](OC2)C=C
• Title of publication: Flexible and enantioselective access to jaspine B and biologically active chain-modified analogues thereof.
• Authors of publication: Salma, Yahya; Ballereau, Stéphanie; Maaliki, Carine; Ladeira, Sonia; Andrieu-Abadie, Nathalie; Génisson, Yves
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 14
• Pages of publication: 3227 - 3243
• a: 4.5326 ± 0.0002 Å
• b: 25.9051 ± 0.0012 Å
• c: 6.2404 ± 0.0003 Å
• α: 90°
• β: 110.523 ± 0.003°
• γ: 90°
• Cell volume: 686.23 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No