Information card for entry 2217693

Structure parameters

• Chemical name: 10-Methyl-9-(2-nitrophenoxycarbonyl)acridinium trifluoromethanesulfonate
• Formula: C22 H15 F3 N2 O7 S
• Calculated formula: C22 H15 F3 N2 O7 S
• Title of publication: 10-Methyl-9-(2-nitrophenoxycarbonyl)acridinium trifluoromethanesulfonate
• Authors of publication: Artur Sikorski; Agnieszka Niziołek; Karol Krzymiński; Tadeusz Lis; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o372 - o373
• a: 12.459 ± 0.004 Å
• b: 21.361 ± 0.006 Å
• c: 8.123 ± 0.003 Å
• α: 90°
• β: 108.42 ± 0.03°
• γ: 90°
• Cell volume: 2051.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes