Information card for entry 7055640

Structure parameters

• Chemical name: Hydrogen bis(9-carboxy-10-methylacridinium) trifluoromethanesulfonate
• Formula: C31 H23 F3 N2 O7 S
• Calculated formula: C31 H23 F3 N2 O7 S
• Title of publication: Structure, formation, thermodynamics and interactions in 9-carboxy-10-methylacridinium-based molecular systems
• Authors of publication: Trzybiński, Damian; Zadykowicz, Beata; Wera, Michał; Serdiuk, Illia E.; Sieradzan, Andrzej; Sikorski, Artur; Storoniak, Piotr; Krzymiński, Karol
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7359
• a: 8.2989 ± 0.0009 Å
• b: 9.0995 ± 0.001 Å
• c: 9.8014 ± 0.0009 Å
• α: 72.396 ± 0.009°
• β: 77.357 ± 0.008°
• γ: 78.795 ± 0.009°
• Cell volume: 681.83 ± 0.13 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: 0.0827
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No