Information card for entry 2019758

Structure parameters

• Chemical name: 1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one tetrachloridoaurate
• Formula: C16 H22 Au Cl4 N O3
• Calculated formula: C16 H22 Au Cl4 N O3
• Title of publication: Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'
• Authors of publication: Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 10.5046 ± 0.0004 Å
• b: 11.1534 ± 0.0004 Å
• c: 17.5193 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2052.6 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes