Information card for entry 1504072

Structure parameters

• Formula: C23 H26 Cl N3 O5
• Calculated formula: C23 H26 Cl N3 O5
• SMILES: Clc1ccc(CC2(N(NC(=O)OC(C)C)C(=O)OC(C)C)c3ccccc3NC2=O)cc1
• Title of publication: Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.
• Authors of publication: Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 3874 - 3877
• a: 8.9418 ± 0.0018 Å
• b: 12.02 ± 0.002 Å
• c: 12.756 ± 0.003 Å
• α: 115.51 ± 0.03°
• β: 92.14 ± 0.03°
• γ: 107.65 ± 0.03°
• Cell volume: 1156.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No