Information card for entry 4028300

Structure parameters

• Formula: C26 H29 N O7
• Calculated formula: C26 H29 N O7
• SMILES: O=N(=O)c1ccc(cc1)C(=O)O[C@H]1C=C2[C@](C1)(C(=O)C1=C([C@@H](CC[C@H]1CC2)C)C(=O)OCC)C.O=N(=O)c1ccc(cc1)C(=O)O[C@@H]1C=C2[C@@](C1)(C(=O)C1=C([C@H](CC[C@@H]1CC2)C)C(=O)OCC)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: 8.947 ± 0.0001 Å
• b: 10.2863 ± 0.0001 Å
• c: 14.9572 ± 0.001 Å
• α: 70.258 ± 0.005°
• β: 79.287 ± 0.006°
• γ: 69.189 ± 0.005°
• Cell volume: 1207.7 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No