Information card for entry 4033784

Structure parameters

• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• SMILES: O=C1N(C(=O)c2c3c(c(N(C)C)cc2)cccc13)c1ncc(cc1)C
• 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: 11.0461 ± 0.0018 Å
• b: 17.852 ± 0.003 Å
• c: 8.7609 ± 0.0014 Å
• α: 90°
• β: 109.569 ± 0.019°
• γ: 90°
• Cell volume: 1627.8 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.1674
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.2961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No