Information card for entry 4105953

Structure parameters

• Formula: C28 H35 N O3
• Calculated formula: C28 H35 N O3
• SMILES: N1[C@H]([C@H]2[C@@]3(C(=O)CC[C@@H](C(=O)[C@H](CC=C[C@H]3C=C([C@H]2C)C)C)C)C1=O)Cc1ccccc1
• Title of publication: Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii
• Authors of publication: Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5931 - 5940
• a: 8.562 ± 0.0017 Å
• b: 12.833 ± 0.003 Å
• c: 22.116 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No