Information card for entry 2100471

Structure parameters

• Chemical name: (1R, 2S)-(-)-ephedrine malonate
• Formula: C11.5 H17 N O3
• Calculated formula: C11.5 H17 N O3
• 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: 15.119 ± 0.0014 Å
• b: 5.784 ± 0.0007 Å
• c: 13.8788 ± 0.0015 Å
• α: 90°
• β: 105.765 ± 0.007°
• γ: 90°
• Cell volume: 1168 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No