Information card for entry 7153375

Structure parameters

• Formula: C20 H23 N O5
• Calculated formula: C20 H23 N O5
• SMILES: O(C)c1ccc(cc1)CN1C(=O)OC[C@@H]1[C@@H](O)COCc1ccccc1
• 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: 7.4011 ± 0.0002 Å
• b: 21.678 ± 0.0006 Å
• c: 11.5033 ± 0.0004 Å
• α: 90°
• β: 92.832 ± 0.002°
• γ: 90°
• Cell volume: 1843.35 ± 0.1 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: 0.0633
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No