Information card for entry 7118114

Structure parameters

• Formula: C26 H32 O6
• Calculated formula: C13 H16 O3
• SMILES: O1C(=O)[C@H]2CC[C@H]3CC=C[C@@H]4[C@H]3[C@H]2[C@@H](O)[C@H]14
• Title of publication: Domino intramolecular Diels-Alder reactions to construct a 6/6/5/5 fused tetracyclic framework
• Authors of publication: Gaoyuan Zhao; Min He; Huilin Li; Shuangshuang Duan; Ziyun Yuan; Xingang Xie; Xuegong She
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 17321
• a: 7.7711 ± 0.0003 Å
• b: 11.0137 ± 0.0003 Å
• c: 12.6885 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.99 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0433
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No