Information card for entry 2012300

Structure parameters

• Chemical name: 3,6-Bis(dimethylamino)-10-propylacridinium iodide
• Formula: C20 H26 I N3
• Calculated formula: C20 H26 I N3
• SMILES: [I-].c1cc(cc2[n+](c3cc(ccc3cc12)N(C)C)CCC)N(C)C
• Title of publication: 3,6-Bis(dimethylamino)-10-propylacridinium iodide
• Authors of publication: Puliti, Raffaella; Mattia, Carlo Andrea
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1338 - 1340
• a: 11.002 ± 0.006 Å
• b: 17.208 ± 0.003 Å
• c: 11.157 ± 0.007 Å
• α: 90°
• β: 114.86 ± 0.02°
• γ: 90°
• Cell volume: 1916.5 ± 1.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.045
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes