Information card for entry 2018904

Structure parameters

• Common name: (±)-ephedrine tetrachloaurate(III)
• Chemical name: <i>D</i>,<i>L</i>-(1-Hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III)
• Formula: C10 H16 Au Cl4 N O
• Calculated formula: C10 H16 Au Cl4 N O
• SMILES: [Au](Cl)(Cl)(Cl)[Cl-].OC(C([NH2+]C)C)c1ccccc1
• Title of publication: Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine
• Authors of publication: Wood, Matthew R.; Lalancette, Roger A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 388 - 393
• a: 7.7537 ± 0.0004 Å
• b: 25.0264 ± 0.0013 Å
• c: 15.4587 ± 0.0008 Å
• α: 90°
• β: 93.92 ± 0.002°
• γ: 90°
• Cell volume: 2992.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes