Information card for entry 1552653

Structure parameters

• Formula: C25 H34 O6
• Calculated formula: C25 H34 O6
• SMILES: O=C1C(=C[C@@H]2[C@H]1CC(=C[C@@H]1[C@]2(O)[C@@H]([C@@H](O)[C@]2(OC(=O)[C@H](CC)C)[C@H]1C2(C)C)C)C=O)C
• Title of publication: Cytotoxic Tigliane Diterpenoids from Croton damayeshu.
• Authors of publication: Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 1550 - 1557
• a: 9.4458 ± 0.0002 Å
• b: 9.5339 ± 0.0002 Å
• c: 24.499 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2206.27 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.97 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: 0.0387
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No