Information card for entry 2100477

Structure parameters

• Chemical name: (1R, 2S)-(-)-ephedrine L-(+)-tartrate trihydrate
• Formula: C24 H42 N2 O11
• Calculated formula: C24 H42 N2 O11
• SMILES: c1ccccc1[C@@H]([C@@H](C)[NH2+]C)O.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)[O-].c1ccccc1[C@@H]([C@@H](C)[NH2+]C)O.O.O.O
• Title of publication: 17 salts of ephedrine: crystal structures and packing analysis
• Authors of publication: Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: 498 - 505
• a: 5.9373 ± 0.0002 Å
• b: 7.0594 ± 0.0002 Å
• c: 18.3791 ± 0.0008 Å
• α: 80.254 ± 0.001°
• β: 88.527 ± 0.002°
• γ: 66.247 ± 0.002°
• Cell volume: 694.14 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1072
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2835
• Weighted residual factors for all reflections included in the refinement: 0.2946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No