Information card for entry 4517245

Structure parameters

• Formula: C28 H41 N O5
• Calculated formula: C28 H41 N O5
• SMILES: O=C1N[C@H]([C@@H]2[C@@H](C(=C[C@H]3[C@]12C(=O)[C@@H](CC(=O)C[C@H](CC(=C3)C)CO)CC(=O)C)C)C)CC(C)C
• Title of publication: Genomics-driven Discovery of Phytotoxic Cytochalasans involved in the Virulence of the Wheat Pathogen Parastagonospora nodorum.
• Authors of publication: Li, Hang; Wei, Haochen; Hu, Jinyu; Lacey, Ernest; Sobolev, Alexandre N.; Stubbs, Keith A.; Solomon, Peter S.; Chooi, Yit-Heng
• Journal of publication: ACS chemical biology
• Year of publication: 2019
• a: 8.8287 ± 0.0001 Å
• b: 11.0571 ± 0.0001 Å
• c: 13.3265 ± 0.0001 Å
• α: 90°
• β: 102.649 ± 0.001°
• γ: 90°
• Cell volume: 1269.36 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No