Information card for entry 2014820

Structure parameters

• Chemical name: 9-[2,6-Dichlorophenoxy)carbonyl]-10-methylacridinium trifluoromethanesulfonate
• Formula: C22 H14 Cl2 F3 N O5 S
• Calculated formula: C22 H14 Cl2 F3 N O5 S
• Title of publication: 9-(2,6-Dichlorophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate and its precursor 2,6-dichlorophenyl acridine-9-carboxylate
• Authors of publication: Artur Sikorski; Karol Krzymiński; Antoni Konitz; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o227 - o230
• a: 9.434 ± 0.002 Å
• b: 10.905 ± 0.002 Å
• c: 12.26 ± 0.002 Å
• α: 103.14 ± 0.03°
• β: 103.4 ± 0.03°
• γ: 109.51 ± 0.03°
• Cell volume: 1090.8 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1254
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes