Information card for entry 1501827

Structure parameters

• Formula: C14 H22 O4
• Calculated formula: C14 H22 O4
• SMILES: C1[C@H]2[C@@H](CC[C@@]31[C@](C(=O)CCC3(C)C)(C)OO2)O
• 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: 7.3125 ± 0.0002 Å
• b: 12.4303 ± 0.0005 Å
• c: 13.9596 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1268.88 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0666
• 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