Information card for entry 1501826

Structure parameters

• Formula: C16 H24 O5
• Calculated formula: C16 H24 O5
• SMILES: C1[C@H]2[C@@H](CC[C@@]31[C@@](C(=O)CCC3(C)C)(C)OO2)OC(=O)C
• Title of publication: Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.
• Authors of publication: Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 1230 - 1235
• a: 8.738 ± 0.0001 Å
• b: 12.2728 ± 0.0001 Å
• c: 14.3159 ± 0.0001 Å
• α: 90°
• β: 97.163 ± 0.001°
• γ: 90°
• Cell volume: 1523.25 ± 0.02 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No