Information card for entry 4027781

Structure parameters

• Formula: C23 H18 Cl N O2
• Calculated formula: C23 H18 Cl N O2
• SMILES: Clc1c(C[C@@]2(c3c(NC2=O)cccc3)CC(=O)c2ccccc2)cccc1
• Title of publication: Organocatalyzed Enantioselective Decarboxylative Stereoablation Reaction for the Construction of 3,3'-Disubstituted Oxindoles Using β-Ketoacids and 3-Halooxindoles
• Authors of publication: Jian Zuo; Yu-Hua Liao; Xiao-Mei Zhang; Wei-Cheng Yuan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 11325 - 11332
• a: 8.601 ± 0.0003 Å
• b: 8.487 ± 0.0002 Å
• c: 13.3739 ± 0.0004 Å
• α: 90°
• β: 105.396 ± 0.004°
• γ: 90°
• Cell volume: 941.22 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No