Information card for entry 1558434

Structure parameters

• Formula: C16 H23 N O7
• Calculated formula: C16 H23 N O7
• SMILES: O=C1N2[C@H](c3c(cc(OC)c(OC)c3)CC2)[C@](O)(C1)[C@H](O)CO.O
• Title of publication: Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.
• Authors of publication: Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 5.674 ± 0.003 Å
• b: 10.99 ± 0.007 Å
• c: 26.414 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1647.1 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1702
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No