Information card for entry 4032810

Structure parameters

• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: O=n1c2c3c(cccc3)ccc2ccc1Nc1c(C=O)cccc1
• Title of publication: Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems.
• Authors of publication: Biswas, Aniruddha; Karmakar, Ujjwal; Nandi, Shiny; Samanta, Rajarshi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 17
• Pages of publication: 8933 - 8942
• a: 7.531 ± 0.002 Å
• b: 8.12 ± 0.003 Å
• c: 23.756 ± 0.008 Å
• α: 90°
• β: 94.41 ± 0.007°
• γ: 90°
• Cell volume: 1448.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1534
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No