Information card for entry 1544424

Structure parameters

• Common name: zl-i-04151
• Formula: C16 H12 F N O3
• Calculated formula: C16 H12 F N O3
• SMILES: FC1(OC(=O)N(C1=O)c1ccccc1)Cc1ccccc1
• Title of publication: High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.
• Authors of publication: Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 5804
• a: 8.5173 ± 0.0009 Å
• b: 5.5799 ± 0.0006 Å
• c: 28.549 ± 0.003 Å
• α: 90°
• β: 95.813 ± 0.001°
• γ: 90°
• Cell volume: 1349.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.2685
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No