Information card for entry 4033785

Structure parameters

• Formula: C36 H28 N6 O3
• Calculated formula: C36 H28 N6 O3
• 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: 20.1905 ± 0.0009 Å
• b: 15.9988 ± 0.0006 Å
• c: 9.2004 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No