Information card for entry 1516470

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: [C@]12(C)[C@]3([C@]([C@@H]4[C@@H](CC3=O)[C@@H](C(=C)CC4)C=C)(C)CC[C@@H]2OC1=O)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: 7.3028 ± 0.0003 Å
• b: 13.9746 ± 0.0013 Å
• c: 16.4665 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680.5 ± 0.2 ų
• Cell temperature: 99.8 K
• Ambient diffraction temperature: 99.8 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: 0.035
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No