Information card for entry 1553360

Structure parameters

• Formula: C24 H39 N O7
• Calculated formula: C24 H35 N O7
• SMILES: C([C@@H]1NC(=O)[C@@]23[C@@H](/C=C(/CCC(=O)[C@@H](O)CCC3=O)C)C=C([C@H]([C@@H]12)C)CO)C(C)C.O.O
• Title of publication: Cytochalasans Produced by the Coculture of Aspergillus flavipes and Chaetomium globosum.
• Authors of publication: Wang, Wenjing; Gong, Jiaojiao; Liu, Xiaorui; Dai, Chong; Wang, Yanyan; Li, Xiao-Nian; Wang, Jianping; Luo, Zengwei; Zhou, Yuan; Xue, Yongbo; Zhu, Hucheng; Chen, Chunmei; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 7
• Pages of publication: 1578 - 1587
• a: 8.054 ± 0.0005 Å
• b: 12.548 ± 0.0007 Å
• c: 14.0945 ± 0.0008 Å
• α: 115.86 ± 0.001°
• β: 94.702 ± 0.001°
• γ: 102.435 ± 0.001°
• Cell volume: 1226.37 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No