Information card for entry 1552600

Structure parameters

• Formula: C29 H48 O12.5
• Calculated formula: C29 H48 O12.5
• SMILES: CO[C@]1(/C2=C/[C@@]3(C(=C(C(C)C)CC3)[C@H]([C@H](O)[C@@H]([C@@H]2CC1)C)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC)C)COC.O.O.O.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: 17.3169 ± 0.0008 Å
• b: 10.191 ± 0.0005 Å
• c: 19.8401 ± 0.0008 Å
• α: 90°
• β: 98.595 ± 0.002°
• γ: 90°
• Cell volume: 3462 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0839
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No