Information card for entry 4028299

Structure parameters

• Formula: C26 H29 N O7
• Calculated formula: C26 H29 N O7
• SMILES: O(C(=O)c1ccc(N(=O)=O)cc1)[C@H]1C=C2CC[C@@H]3C(=C(C(=O)OCC)[C@H](CC3)C)C(=O)[C@]2(C1)C.O(C(=O)c1ccc(N(=O)=O)cc1)[C@@H]1C=C2CC[C@H]3C(=C(C(=O)OCC)[C@@H](CC3)C)C(=O)[C@@]2(C1)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: 24.1779 ± 0.0017 Å
• b: 7.1621 ± 0.0001 Å
• c: 14.2437 ± 0.0002 Å
• α: 90°
• β: 105.839 ± 0.007°
• γ: 90°
• Cell volume: 2372.86 ± 0.19 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No