Information card for entry 4034297

Structure parameters

• Common name: zyh_wzd3651
• Formula: C24 H35 N O4
• Calculated formula: C24 H35 N O4
• SMILES: N1[C@@H](CC(C)C)[C@H]2[C@@]3(OC(=O)C=C[C@H](O)CCCC(=C[C@H]3C=C([C@H]2C)C)C)C1=O
• Title of publication: Amiaspochalasins A-H, Undescribed Aspochalasins with a C-21 Ester Carbonyl from Aspergillus micronesiensis.
• Authors of publication: Wu, Zhaodi; Zhang, Xiaotian; Al Anbari, Weaam Hasan; Zhang, Mi; Chen, Xia; Luo, Zengwei; Li, Xiao-Nian; Chen, Chunmei; Liu, Junjun; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5483 - 5491
• a: 19.6655 ± 0.0019 Å
• b: 38.468 ± 0.004 Å
• c: 12.8796 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9743.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No