Information card for entry 2013033

Structure parameters

• Chemical name: 9,10-dimethylacridinium methyl sulfate
• Formula: C16 H17 N O4 S
• Calculated formula: C16 H17 N O4 S
• Title of publication: 10-Methyl- and 9,10-dimethylacridinium methyl sulfate
• Authors of publication: Meszko, Joanna; Sikorski, Artur; Huta, Olexyj M.; Konitz, Antoni; Błażejowski, Jerzy
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o669 - o671
• a: 9.271 ± 0.002 Å
• b: 6.822 ± 0.001 Å
• c: 11.591 ± 0.002 Å
• α: 90°
• β: 96.24 ± 0.03°
• γ: 90°
• Cell volume: 728.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes