Information card for entry 2005691

Structure parameters

• Formula: C10 H13 N O5
• Calculated formula: C10 H13 N O5
• SMILES: O=C1N(C(=O)C=C(OC)C1(O)CC(=O)C)C
• Title of publication: A Pyridine-2,6(1<i>H</i>,3<i>H</i>)-dione Alkaloid
• Authors of publication: Zhu, Y.; Jia, Z.-J.; Shi, J.-G.; Wang, H.-Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2791 - 2793
• a: 8.5879 ± 0.0007 Å
• b: 17.461 ± 0.0008 Å
• c: 7.893 ± 0.001 Å
• α: 90°
• β: 113.82 ± 0.01°
• γ: 90°
• Cell volume: 1082.76 ± 0.19 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 0.801
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No