Information card for entry 7226892

Structure parameters

• Formula: C19 H15 N O
• Calculated formula: C19 H15 N O
• SMILES: O=C1CCCc2c(c3c(nc12)cccc3)c1ccccc1
• Title of publication: Metal-free annulation/aerobic oxidative dehydrogenation of cyclohexanones with o-acylanilines: efficient syntheses of acridines
• Authors of publication: Senadi, Gopal Chandru; Dhandabani, Ganesh Kumar; Hu, Wan-Ping; Wang, Jeh-Jeng
• Journal of publication: Green Chem.
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6241
• a: 8.2767 ± 0.0007 Å
• b: 8.6984 ± 0.0006 Å
• c: 11.4987 ± 0.0009 Å
• α: 110.318 ± 0.002°
• β: 90.656 ± 0.003°
• γ: 115.299 ± 0.003°
• Cell volume: 689.29 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No