Information card for entry 1568556

Structure parameters

• Formula: C20 H24 O4
• Calculated formula: C20 H24 O4
• SMILES: O(C(=O)C1(CC=C[C@H]1/C=C/c1ccc(cc1)C)C(=O)OCC)CC
• Title of publication: Palladium-catalyzed enantioselective rearrangement of dienyl cyclopropanes.
• Authors of publication: Xu, Qi; Lu, Chuan-Jun; Guo, Chang-Qiu; Feng, Jia; Liu, Ren-Rong
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3346 - 3351
• a: 7.73185 ± 0.00008 Å
• b: 5.91229 ± 0.00007 Å
• c: 19.8978 ± 0.0002 Å
• α: 90°
• β: 92.4788 ± 0.001°
• γ: 90°
• Cell volume: 908.736 ± 0.017 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.026
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No