Information card for entry 7239019

Structure parameters

• Formula: C23 H15 Cl N2 O5
• Calculated formula: C23 H15 Cl N2 O5
• Title of publication: Highly enantioselective aza-Michael addition reactions of 4-nitrophthalimide with α,β-unsaturated ketones
• Authors of publication: Ma, Shijun; Wu, Lulu; Liu, Ming; Xu, Xiufang; Huang, Yaodong; Wang, Yongmei
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 29
• Pages of publication: 11498
• a: 5.9139 ± 0.0018 Å
• b: 18.664 ± 0.006 Å
• c: 8.834 ± 0.003 Å
• α: 90°
• β: 93.314 ± 0.005°
• γ: 90°
• Cell volume: 973.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No