Information card for entry 7226889

Structure parameters

• Formula: C19 H13 N
• Calculated formula: C19 H13 N
• SMILES: n1c2ccccc2c(c2ccccc12)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: 8.4892 ± 0.0006 Å
• b: 17.7731 ± 0.0015 Å
• c: 9.0884 ± 0.0007 Å
• α: 90°
• β: 107.345 ± 0.008°
• γ: 90°
• Cell volume: 1308.9 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1114
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No