Information card for entry 7209206

Structure parameters

• Common name: (1R,2S)-(-)-Ephedrine D-(-)-tartaric acid
• Chemical name: (1R,2S)-(-)-Ephedrine D-(-)-tartaric acid
• Formula: C14 H21 N O7
• Calculated formula: C14 H21 N O7
• SMILES: C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.[C@H]([C@H](C)[NH2+]C)(c1ccccc1)O
• Title of publication: Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate
• Authors of publication: Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 1853
• a: 18.8281 ± 0.000026 Å
• b: 7.19429 ± 0.000018 Å
• c: 5.73035 ± 0.000014 Å
• α: 90°
• β: 95.9613 ± 0.0001°
• γ: 90°
• Cell volume: 772.006 ± 0.003 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Goodness-of-fit parameter for all reflections: 1.874
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.826146 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No