Information card for entry 7115972

Structure parameters

• Formula: C20 H22 O8
• Calculated formula: C20 H22 O8
• SMILES: O1[C@]2(CC([C@@H]([C@H]2C1=O)c1ccc(cc1)C(=O)OC)(C(=O)OC)C(=O)OC)CC
• Title of publication: N-Heterocyclic carbene-catalyzed enantioselective synthesis of functionalized cyclopentenes via alpha,beta-unsaturated acyl azoliums
• Authors of publication: Santigopal Mondal; Santhivardhana Reddy Yetra; Atanu Patra; Sunita S. Kunte; Rajesh G. Gonnade; Akkattu T. Biju
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14539
• a: 20.454 ± 0.001 Å
• b: 7.1698 ± 0.0003 Å
• c: 15.6356 ± 0.0008 Å
• α: 90°
• β: 121.607 ± 0.006°
• γ: 90°
• Cell volume: 1952.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No