Information card for entry 7118115

Structure parameters

• Formula: C14 H20 O3
• Calculated formula: C14 H20 O3
• SMILES: O[C@@H]1[C@@H]2CC[C@@H]([C@H]3[C@@H]2[C@H]2[C@@H]1OC(=O)[C@H]2CC3)C
• 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: 15.8905 ± 0.0018 Å
• b: 6.1745 ± 0.0005 Å
• c: 19.186 ± 0.004 Å
• α: 90°
• β: 104.581 ± 0.016°
• γ: 90°
• Cell volume: 1821.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No