Information card for entry 4033786

Structure parameters

• Formula: C18 H9 F3 N2 O2
• Calculated formula: C18 H9 F3 N2 O2
• SMILES: FC(F)(F)c1ccc(N2C(=O)c3cccc4cccc(C2=O)c34)nc1
• Title of publication: Copper Catalyzed Oxidative C-C Bond Cleavage of 1,2-Diketones: A Divergent Approach to 1,8-Naphthalimides, Biphenyl-2,2'-dicarboxamides, and N-Heterocyclic Amides.
• Authors of publication: Sakhare, Priyanka R.; Subramanian, Parthasarathi; Kaliappan, Krishna P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 2112 - 2125
• a: 9.4306 ± 0.001 Å
• b: 19.0359 ± 0.0018 Å
• c: 8.6514 ± 0.001 Å
• α: 90°
• β: 111.783 ± 0.013°
• γ: 90°
• Cell volume: 1442.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No