Information card for entry 7226017

Structure parameters

• Common name: pseuboydone A
• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O=C1[C@@H]([C@@H]2[C@@H]3[C@H](CC[C@@H](C2=C1)C)[C@]3(CO)C)C
• Title of publication: Secondary Metabolites with Chemical Diversity from the Marine-derived Fungus Pseudallescheria boydii F19-1 and Their Cytotoxic Activity
• Authors of publication: Lan, Wenjian; Wang, Kunteng; Xu, Meng-Yang; Zhang, Jingjing; Lam, Chi-Keung; Zhong, Guohua; Xu, Jun; Yang, Depo; Li, Houjin; Wang, Laiyou
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.681 ± 0.0002 Å
• b: 8.7004 ± 0.0003 Å
• c: 17.2976 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1306.46 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No