Information card for entry 1516471

Structure parameters

• Formula: C20 H30 O5
• Calculated formula: C20 H30 O5
• SMILES: C1(=O)[C@]2([C@@H](CC[C@]3([C@]2([C@@H](C[C@@H]2[C@@H]3CCC(=C)[C@H]2C=C)O1)O)C)O)C.O
• Title of publication: Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.
• Authors of publication: Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 6
• Pages of publication: 1513 - 1518
• a: 7.2054 ± 0.0003 Å
• b: 8.0628 ± 0.0003 Å
• c: 31.8423 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1849.9 ± 0.12 ų
• Cell temperature: 97.2 ± 0.1 K
• Ambient diffraction temperature: 97.2 ± 0.1 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: 0.0389
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No