Information card for entry 7117404

Structure parameters

• Formula: C29 H24 Cl N O5
• Calculated formula: C29 H24 Cl N O5
• SMILES: Clc1cccc(C(=O)N[C@@]2(c3cc(O)c4c(cccc4)c3OC2=O)Cc2ccccc2)c1.O=C(C)C
• Title of publication: Organocatalytic enantioselective formal arylation of azlactones using quinones as the aromatic partner
• Authors of publication: Guofeng Li; Wangsheng Sun; Jingyi Li; Fengjing Jia; Liang Hong; Rui Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11280
• a: 6.6033 ± 0.0011 Å
• b: 13.917 ± 0.002 Å
• c: 27.99 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2572.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No