Information card for entry 1505532

Structure parameters

• Formula: C17 H20 O5
• Calculated formula: C17 H20 O5
• SMILES: O=C1O[C@H]2[C@H](C[C@@](O)([C@@H]1CCC2)C(=O)OC)c1ccccc1.O=C1O[C@@H]2[C@@H](C[C@](O)([C@H]1CCC2)C(=O)OC)c1ccccc1
• Title of publication: Enantioselective formal [3+3] annulation for the direct construction of bicyclic skeletons with four stereogenic centers.
• Authors of publication: Cao, Chun-Li; Sun, Xiu-Li; Kang, Yan-Biao; Tang, Yong
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 4151 - 4154
• a: 6.6196 ± 0.001 Å
• b: 20.669 ± 0.003 Å
• c: 11.6156 ± 0.0017 Å
• α: 90°
• β: 100.003 ± 0.002°
• γ: 90°
• Cell volume: 1565.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No