Information card for entry 2233297

Structure parameters

• Chemical name: Acridin-10-ium 6-carboxypyridine-2-carboxylate
• Formula: C20 H14 N2 O4
• Calculated formula: C20 H14 N2 O4
• SMILES: [nH+]1c2ccccc2cc2ccccc12.OC(=O)c1nc(ccc1)C(=O)[O-]
• Title of publication: Acridin-10-ium 6-carboxypyridine-2-carboxylate
• Authors of publication: Ha, Kwang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o196
• a: 16.6817 ± 0.0008 Å
• b: 8.2872 ± 0.0004 Å
• c: 23.7289 ± 0.0012 Å
• α: 90°
• β: 105.582 ± 0.001°
• γ: 90°
• Cell volume: 3159.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes