Information card for entry 1562171

Structure parameters

• Formula: C17 H22 O4
• Calculated formula: C17 H22 O4
• SMILES: O(c1ccc(OC)c2c1C[C@@]1([C@]([C@H]2O)(C(=O)CC1)C)C)C
• Title of publication: Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.
• Authors of publication: Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 7575 - 7582
• a: 10.6905 ± 0.0002 Å
• b: 12.9017 ± 0.0001 Å
• c: 11.275 ± 0.0001 Å
• α: 90°
• β: 99.604 ± 0.001°
• γ: 90°
• Cell volume: 1533.32 ± 0.03 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: 0.039
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No