Information card for entry 1553916

Structure parameters

• Formula: C17 H13 Cl N2 O4
• Calculated formula: C17 H13 Cl N2 O4
• Title of publication: Cu(i)-Catalyzed amidation/imidation of N-arylglycine ester derivatives via C‒N coupling under mild conditions
• Authors of publication: Daggupati, Ramana V.; Malapaka, Chandrasekharam
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 788
• a: 10.1754 ± 0.0007 Å
• b: 13.7004 ± 0.0008 Å
• c: 13.8309 ± 0.001 Å
• α: 119.49 ± 0.007°
• β: 102.929 ± 0.006°
• γ: 92.342 ± 0.005°
• Cell volume: 1609.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.057
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1456
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No