Information card for entry 7119254

Structure parameters

• Formula: C19 H16 O4
• Calculated formula: C19 H16 O4
• SMILES: O1c2c(cccc2)[C@@](C1=O)(Cc1ccccc1)C(=O)OCC=C
• Title of publication: Direct enantioselective C-acylation for the construction of a quaternary stereocenter catalyzed by a chiral bicyclic imidazole.
• Authors of publication: Wang, Mo; Zhang, Xiao; Ling, Zheng; Zhang, Zhenfeng; Zhang, Wanbin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1381 - 1384
• a: 15.9902 ± 0.0005 Å
• b: 6.7069 ± 0.0002 Å
• c: 15.597 ± 0.0005 Å
• α: 90°
• β: 107.569 ± 0.002°
• γ: 90°
• Cell volume: 1594.67 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No