Information card for entry 7111809

Structure parameters

• Formula: C20 H22 Cl N2 O2
• Calculated formula: C20 H22 Cl N2 O2
• Title of publication: Asymmetric synthesis of N-stereogenic molecules: diastereoselective double aza-Michael reaction
• Authors of publication: Alex Lauber; Benjamin Zelenay; Jan Cvengros
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1195
• a: 8.1957 ± 0.0009 Å
• b: 8.7315 ± 0.0009 Å
• c: 12.9688 ± 0.0014 Å
• α: 96.755 ± 0.002°
• β: 99.39 ± 0.002°
• γ: 92.439 ± 0.002°
• Cell volume: 907.46 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No