Information card for entry 7106169

Structure parameters

• Formula: C22 H19 Cl N2 O2
• Calculated formula: C22 H19 Cl N2 O2
• SMILES: Clc1ccc([C@H](NNC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1
• Title of publication: Enantioselective aza-Micheal reaction of hydrazide to chalcones through the nonactivated amine moiety conjugated addition
• Authors of publication: Jun Jiang; Yunfei Cai; Weiliang Chen; Lili Lin; Xiaohua Liu; Xiaoming Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4016
• a: 12.657 ± 0.0009 Å
• b: 5.2425 ± 0.0003 Å
• c: 14.9418 ± 0.001 Å
• α: 90°
• β: 105.291 ± 0.007°
• γ: 90°
• Cell volume: 956.35 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 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: 0.0638
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No