Information card for entry 4028301

Structure parameters

• Formula: C19 H26 O3
• Calculated formula: C19 H26 O3
• SMILES: O1C(=O)C2=C3[C@]1(O)[C@@]1(C)C=C(C[C@H]1C[C@@H]([C@H]3CC[C@@H]2C)C)C
• Title of publication: Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction
• Authors of publication: Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 5492 - 5504
• a: 9.348 ± 0.0001 Å
• b: 8.2678 ± 0.0001 Å
• c: 10.8164 ± 0.0007 Å
• α: 90°
• β: 90.855 ± 0.006°
• γ: 90°
• Cell volume: 835.88 ± 0.06 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No