Information card for entry 1559409

Structure parameters

• Formula: C21 H25 N O4
• Calculated formula: C21 H25 N O4
• SMILES: O=c1[nH]cc(c(O)c1C(=O)[C@H](C[C@H](C/C=C/C)C)C)c1ccc(O)cc1
• Title of publication: 4-Hydroxy Pyridones from Heterologous Expression and Cultivation of the Native Host.
• Authors of publication: Zhang, Wei-Yang; Zhong, Yue; Yu, Yang; Shi, Dan-Feng; Huang, Hui-Yun; Tang, Xiao-Long; Wang, Yong-Heng; Chen, Guo-Dong; Zhang, Hui-Ping; Liu, Chen-Li; Hu, Dan; Gao, Hao; Yao, Xin-Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 14.872 ± 0.0007 Å
• b: 7.8414 ± 0.0005 Å
• c: 35.3848 ± 0.0017 Å
• α: 90°
• β: 92.297 ± 0.004°
• γ: 90°
• Cell volume: 4123.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No