Information card for entry 4134551

Structure parameters

• Formula: C19 H28 O3
• Calculated formula: C19 H28 O3
• SMILES: O1C2(OCC1)C[C@]13[C@@]4(C(=O)CCC[C@@]4(CC1)C)CC[C@@]3(C)C2.O1C2(OCC1)C[C@@]13[C@]4(C(=O)CCC[C@]4(CC1)C)CC[C@]3(C)C2
• Title of publication: Asymmetric Total Synthesis of (+)-Waihoensene.
• Authors of publication: Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.2573 ± 0.0003 Å
• b: 11.517 ± 0.0003 Å
• c: 14.0879 ± 0.0003 Å
• α: 90°
• β: 106.2 ± 0.003°
• γ: 90°
• Cell volume: 1598.17 ± 0.08 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No