Information card for entry 1552618

Structure parameters

• Formula: C24 H37 N O5
• Calculated formula: C24 H35 N O5
• SMILES: O.O[C@@H]1CCC(=C)[C@H]2[C@]31O[C@](O)([C@]14[C@@H]2C=C(C)[C@H]([C@H]1[C@H](CC(C)C)NC4=O)C)CC3
• Title of publication: Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from <i>Aspergillus flavipes</i>.
• Authors of publication: Zhang, Xiaotian; Yang, Lu; Wang, Wenjing; Wu, Zhaodi; Wang, Jianping; Sun, Weiguang; Li, Xiao-Nian; Chen, Chunmei; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 11
• Pages of publication: 2994 - 3001
• a: 25.1308 ± 0.0006 Å
• b: 25.1308 ± 0.0006 Å
• c: 25.1308 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15871.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No