Information card for entry 2215894

Structure parameters

• Chemical name: 3,6-Diaminoacridinium perchlorate
• Formula: C13 H12 Cl N3 O4
• Calculated formula: C13 H12 Cl N3 O4
• SMILES: c1c2c(ccc1N)cc1c(cc(cc1)N)[nH+]2.[O-]Cl(=O)(=O)=O
• Title of publication: 3,6-Diaminoacridinium perchlorate
• Authors of publication: Varga, Richard A.; Rus, Adina; Venter, Monica M.; Negreanu-Pirjol, Ticuta; Guran, Cornelia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4317 - o4317
• a: 15.122 ± 0.003 Å
• b: 13.477 ± 0.003 Å
• c: 6.6922 ± 0.0013 Å
• α: 90°
• β: 101.21 ± 0.03°
• γ: 90°
• Cell volume: 1337.8 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes