Information card for entry 7155149

Structure parameters

• Formula: C24 H15 Cl O3
• Calculated formula: C24 H15 Cl O3
• SMILES: Clc1ccc(C2=CC(=O)O[C@]3(C2)c2ccccc2c2ccccc2C3=O)cc1
• Title of publication: Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.
• Authors of publication: Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 6435 - 6441
• a: 10.5258 ± 0.0009 Å
• b: 11.7582 ± 0.001 Å
• c: 14.4254 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1785.4 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No