Information card for entry 1558435

Structure parameters

• Formula: C19 H22 N2 O6.5
• Calculated formula: C19 H22 N2 O6.5
• SMILES: O.c1cccc2c1c(c[nH]2)CCN1C(=O)[C@@](O)(CC1=O)[C@@H](O)C(=O)OC(C)C
• 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: 25.448 ± 0.004 Å
• b: 6.6873 ± 0.0008 Å
• c: 11.1323 ± 0.0015 Å
• α: 90°
• β: 91.972 ± 0.006°
• γ: 90°
• Cell volume: 1893.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No