Information card for entry 1570256

Structure parameters

• Formula: C25 H32 O5
• Calculated formula: C25 H32 O5
• SMILES: O=C1C[C@@H]2C(=C1C)C[C@@]13O[C@@]2(C[C@@H]1OC(=O)[C@@]13CCC=C([C@@H]1/C=C/C(O)(C)C)C)C
• Title of publication: Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.
• Authors of publication: Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 13410 - 13418
• a: 9.1292 ± 0.0006 Å
• b: 9.1825 ± 0.0006 Å
• c: 26.703 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2238.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0718
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No