Information card for entry 1552601

Structure parameters

• Formula: C20 H31 O4.5
• Calculated formula: C20 H31 O4.5
• SMILES: O1[C@]2(O)[C@H](O)C(=C3[C@@H]2[C@H](CCC2=C(CC[C@@]2(C3)C)[C@@H](C)CO)C1)C.O
• Title of publication: Dongtingnoids A-G: Fusicoccane Diterpenoids from a Penicillium Species.
• Authors of publication: Bie, Qiong; Chen, Chunmei; Yu, Muyuan; Guo, Jieru; Wang, Jianping; Liu, Junjun; Zhou, Yuan; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 80 - 86
• a: 7.22937 ± 0.00004 Å
• b: 28.66155 ± 0.00014 Å
• c: 9.57923 ± 0.00007 Å
• α: 90°
• β: 111.315 ± 0.0007°
• γ: 90°
• Cell volume: 1849.09 ± 0.02 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0246
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No