Information card for entry 2207954

Structure parameters

• Chemical name: 10-Methyl-9-(2-methylphenoxycarbonyl)acridinium trifluoromethanesulfonate
• Formula: C23 H18 F3 N O5 S
• Calculated formula: C23 H18 F3 N O5 S
• SMILES: c1cccc2[n+](c3ccccc3c(c12)C(=O)Oc1c(cccc1)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: 10-Methyl-9-(2-methylphenoxycarbonyl)acridinium trifluoromethanesulfonate
• Authors of publication: Artur Sikorski; Karol Krzymiński; Agata Białońska; Tadeusz Lis; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o822 - o824
• a: 9.16 ± 0.002 Å
• b: 10.558 ± 0.002 Å
• c: 11.06 ± 0.002 Å
• α: 80.35 ± 0.03°
• β: 87.87 ± 0.03°
• γ: 80.03 ± 0.03°
• Cell volume: 1038.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No