Information card for entry 1505530

Structure parameters

• Formula: C17 H20 O4
• Calculated formula: C17 H20 O4
• SMILES: O[C@]1(C[C@H]([C@H]2C(=O)[C@@H]1CCC2)c1ccccc1)C(=O)OC
• 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: 6.1272 ± 0.0008 Å
• b: 11.9338 ± 0.0016 Å
• c: 10.1958 ± 0.0013 Å
• α: 90°
• β: 92.659 ± 0.002°
• γ: 90°
• Cell volume: 744.72 ± 0.17 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: 0.0461
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No