Information card for entry 7061491

Structure parameters

• Formula: C23 H16 Cl N O4
• Calculated formula: C23 H16 Cl N O4
• Title of publication: Studies on Pd-catalyzed asymmetric hydroesterification of enimides. A possible approach to optically active β-amino acid derivatives
• Authors of publication: Li, Junhua; Yang, Yan; Wang, Zichu; Shi, Yian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 9507 - 9510
• a: 10.606 ± 0.003 Å
• b: 14.275 ± 0.004 Å
• c: 15.503 ± 0.005 Å
• α: 65.747 ± 0.007°
• β: 88.159 ± 0.007°
• γ: 71.091 ± 0.007°
• Cell volume: 2010.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No