Information card for entry 1502804

Structure parameters

• Formula: C17 H30 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 nor-chamigrane and chamigrane endoperoxides from a basidiomycetous fungus.
• Authors of publication: Chokpaiboon, Supichar; Sommit, Damrong; Teerawatananond, Thapong; Muangsin, Nongnuj; Bunyapaiboonsri, Taridaporn; Pudhom, Khanitha
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 1005 - 1007
• a: 7.3526 ± 0.0001 Å
• b: 12.4749 ± 0.0003 Å
• c: 13.9626 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1280.69 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No