Information card for entry 7226890

Structure parameters

• Formula: C19 H12 Cl N
• Calculated formula: C19 H12 Cl N
• SMILES: Clc1ccc2nc3c(c(c2c1)c1ccccc1)cccc3
• 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: 7.5233 ± 0.0011 Å
• b: 9.2661 ± 0.0015 Å
• c: 11.5013 ± 0.0015 Å
• α: 109.068 ± 0.014°
• β: 96.475 ± 0.012°
• γ: 105.036 ± 0.013°
• Cell volume: 714.5 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.2208
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No