Information card for entry 1553293

Structure parameters

• Formula: C13 H12 N2 O3
• Calculated formula: C13 H12 N2 O3
• SMILES: O=C(c1c[nH]c([C@@H](O)c2ccccc2)cc1=O)N
• Title of publication: Penipyridones A-F, Pyridone Alkaloids from Penicillium funiculosum.
• Authors of publication: Zhou, Haibo; Li, Liyuan; Wu, Chongming; Kurtán, Tibor; Mándi, Attila; Liu, Yankai; Gu, Qianqun; Zhu, Tianjiao; Guo, Peng; Li, Dehai
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 1783 - 1790
• a: 6.5201 ± 0.0001 Å
• b: 7.2318 ± 0.0001 Å
• c: 24.7168 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165.45 ± 0.03 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No