Information card for entry 4026761

Structure parameters

• Common name: cytospolide M
• Chemical name: (1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5,8-dimethyl-2- pentyl-3,11-dioxa-bicyclo[6.2.1]undecan-4-one
• Formula: C15 H26 O5
• Calculated formula: C15 H26 O5
• SMILES: O1C(=O)[C@@H]([C@H](O)[C@H](O)[C@@H]2O[C@@H](CC2)[C@H]1CCCCC)C
• Title of publication: Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.
• Authors of publication: Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9699 - 9710
• a: 5.324 ± 0.0001 Å
• b: 12.6918 ± 0.0003 Å
• c: 23.0937 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1560.47 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No