Information card for entry 1504210

Structure parameters

• Formula: C23 H22 Cl N O3
• Calculated formula: C23 H22 Cl N O3
• SMILES: Clc1ccccc1[C@@H]1[C@H](C=C([C@H]([C@@H]1N(=O)=O)c1ccccc1)C=O)C=C(C)C
• Title of publication: Asymmetric Michael addition of gamma,gamma-disubstituted alpha,beta-unsaturated aldehydes to nitroolefins via dienamine catalysis.
• Authors of publication: Han, Bo; Xiao, You-Cai; He, Zhao-Quan; Chen, Ying-Chun
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4660 - 4663
• a: 10.185 ± 0.003 Å
• b: 8.74 ± 0.003 Å
• c: 12.189 ± 0.004 Å
• α: 90°
• β: 112.29 ± 0.004°
• γ: 90°
• Cell volume: 1003.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No