Information card for entry 7231380

Structure parameters

• Formula: C20 H23 Cl N2 O5
• Calculated formula: C20 H23 Cl N2 O5
• Title of publication: Direct β-selectivity of α,β-unsaturated γ-butyrolactam for asymmetric conjugate additions in an organocatalytic manner
• Authors of publication: Zhong, Yuan; Hong, Sihua; Cai, Zhengjun; Ma, Shixiong; Jiang, Xianxing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 51
• Pages of publication: 28874
• a: 29.349 ± 0.002 Å
• b: 11.9764 ± 0.0009 Å
• c: 11.579 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4070 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No