Information card for entry 1552651

Structure parameters

• Formula: C29 H42 O7
• Calculated formula: C29 H42 O7
• SMILES: O=C1C(=C[C@@H]2[C@H]1CC(=C[C@@H]1[C@]2(O)[C@@H]([C@@H](OC(=O)[C@H](CC)C)[C@]2(OC(=O)C(C)C)[C@H]1C2(C)C)C)CO)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: 7.2498 ± 0.0002 Å
• b: 12.1481 ± 0.0003 Å
• c: 15.291 ± 0.0003 Å
• α: 90°
• β: 97.248 ± 0.001°
• γ: 90°
• Cell volume: 1335.94 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 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: 0.0596
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No