Information card for entry 1558430

Structure parameters

• Formula: C17 H21 N O8
• Calculated formula: C17 H21 N O8
• SMILES: COC(=O)[C@H]([C@@]1(CC(=O)N(C1=O)CCc1cc(c(cc1)OC)OC)O)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: 5.4754 ± 0.0002 Å
• b: 15.6795 ± 0.0004 Å
• c: 20.1088 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1726.37 ± 0.09 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: 0.0329
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No