Information card for entry 2220532

Structure parameters

• Chemical name: 9-Ethyl-10-methylacridinium trifluoromethanesulfonate
• Formula: C17 H16 F3 N O3 S
• Calculated formula: C17 H16 F3 N O3 S
• SMILES: c1cccc2[n+](c3ccccc3c(c12)CC)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: 9-Ethyl-10-methylacridinium trifluoromethanesulfonate
• Authors of publication: Zadykowicz, Beata; Wera, Michał; Sikorski, Artur; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o30 - o31
• a: 7.771 ± 0.002 Å
• b: 9.44 ± 0.002 Å
• c: 11.898 ± 0.002 Å
• α: 76.76 ± 0.03°
• β: 74.04 ± 0.03°
• γ: 82.14 ± 0.03°
• Cell volume: 814.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes