Information card for entry 2225864

Structure parameters

• Chemical name: 3-Acetyl-6-chloro-2-methyl-4-phenylquinolinium perchlorate
• Formula: C18 H15 Cl2 N O5
• Calculated formula: C18 H15 Cl2 N O5
• SMILES: Clc1ccc2[nH+]c(c(c(c2c1)c1ccccc1)C(=O)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: 3-Acetyl-6-chloro-2-methyl-4-phenylquinolinium perchlorate
• Authors of publication: Shahani, Tara; Fun, Hoong-Kun; Sarveswari, S.; Vijayakumar, V.; Reddy, B. Palakshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1192 - o1193
• a: 7.3862 ± 0.0001 Å
• b: 8.8519 ± 0.0002 Å
• c: 13.3378 ± 0.0003 Å
• α: 92.477 ± 0.001°
• β: 91.903 ± 0.001°
• γ: 99.55 ± 0.001°
• Cell volume: 858.44 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes