Information card for entry 4134365

Structure parameters

• Formula: C24 H34 O6
• Calculated formula: C24 H34 O6
• SMILES: O1O[C@@]23[C@@H](CC[C@H]4C[C@H](OC(=O)C)CC[C@]14C3)[C@H]1[C@](CC2)([C@@H]2[C@@H](OC(=O)[C@H]2C)C1)C
• Title of publication: Bioinspired Synthesis of Nortriterpenoid Propindilactone G.
• Authors of publication: Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 11
• Pages of publication: 5007 - 5012
• a: 5.7822 ± 0.0005 Å
• b: 14.207 ± 0.0011 Å
• c: 26.733 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2196.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.093
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No