Information card for entry 4131043

Structure parameters

• Formula: C25 H22 N2 O4
• Calculated formula: C25 H22 N2 O4
• Title of publication: Catalytic, Regioselective Hydrocarbofunctionalization of Unactivated Alkenes with Diverse C-H Nucleophiles.
• Authors of publication: Yang, Kin S.; Gurak, Jr, John A; Liu, Zhen; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 44
• Pages of publication: 14705 - 14712
• a: 13.7635 ± 0.0004 Å
• b: 6.7495 ± 0.0002 Å
• c: 24.5387 ± 0.0007 Å
• α: 90°
• β: 99.39 ± 0.001°
• γ: 90°
• Cell volume: 2249.02 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No