Information card for entry 2202002

Structure parameters

• Formula: C18 H22 Cl N O
• Calculated formula: C18 H22 Cl N O
• Title of publication: (9-Anthrylmethyl)trimethylammonium chloride monohydrate
• Authors of publication: Christopher M. Beaudry; Jenny Pehl; Karen M. Wovkulich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o897 - o898
• a: 8.1368 ± 0.0006 Å
• b: 10.2645 ± 0.0008 Å
• c: 19.351 ± 0.002 Å
• α: 90°
• β: 92.088 ± 0.001°
• γ: 90°
• Cell volume: 1615.1 ± 0.2 ų
• Cell temperature: 148.2 K
• Ambient diffraction temperature: 148.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.536
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes