Information card for entry 7242080

Structure parameters

• Formula: C38 H42 O9
• Calculated formula: C38 H42 O9
• SMILES: c1ccccc1C(=O)O[C@@H]1C[C@@H]2[C@H](C2(C)C)/C=C(C)\C(=O)[C@]2(C[C@H](C)[C@@H]([C@@H]2[C@H](C1=C)OC(=O)C)OC(=O)c1ccccc1)OC(=O)C
• Title of publication: Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris
• Authors of publication: Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 3183 - 3189
• a: 9.14 ± 0.0004 Å
• b: 9.3542 ± 0.0004 Å
• c: 10.6916 ± 0.0005 Å
• α: 104.278 ± 0.002°
• β: 90.57 ± 0.002°
• γ: 91.63 ± 0.002°
• Cell volume: 885.37 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No