Information card for entry 4519092

Structure parameters

• Formula: C20 H13 Cl4 N O6
• Calculated formula: C20 H13 Cl4 N O6
• Title of publication: Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters
• Authors of publication: Leng, Lingying; Ready, Joseph M.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 13714 - 13720
• a: 27.73 ± 0.005 Å
• b: 7.9612 ± 0.0013 Å
• c: 19.899 ± 0.003 Å
• α: 90°
• β: 115.585 ± 0.005°
• γ: 90°
• Cell volume: 3962.2 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No