Information card for entry 7053766

Structure parameters

• Common name: Amphetamine sulphate
• Formula: C18 H28 N2 O4 S
• Calculated formula: C18 H28 N2 O4 S
• SMILES: c1ccccc1C[C@H](C)[NH3+].c1ccccc1C[C@H](C)[NH3+].[O-]S(=O)(=O)[O-]
• Title of publication: The crystal structure and evidence of the phase transition in d-amphetamine sulfate, as studied by X-ray crystallography, DSC and NMR spectroscopy
• Authors of publication: Pogorzelec-Glaser, Katarzyna; Kaszyńska, Joanna; Rachocki, Adam; Tritt-Goc, Jadwiga; Piślewski, Narcyz; Pietraszko, Adam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 1894
• a: 10.609 ± 0.0012 Å
• b: 6.382 ± 0.0006 Å
• c: 30.133 ± 0.004 Å
• α: 90 ± 0.009°
• β: 94.37 ± 0.01°
• γ: 90 ± 0.009°
• Cell volume: 2034.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0671
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No