Information card for entry 8101852

Structure parameters

• Common name: R,S-(-)-N-methylephedrine
• Chemical name: R,S-(-)-N-methylephedrine
• Formula: C11 H17 N O
• Calculated formula: C11 H17 N O
• SMILES: O[C@H]([C@H](N(C)C)C)c1ccccc1
• Title of publication: Crystal structure of R,S-(-)-N-methylephedrine, C~11~H~17~NO
• Authors of publication: Staples, R. J.; Cho, E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 543 - 544
• a: 8.0754 ± 0.0013 Å
• b: 8.8987 ± 0.0014 Å
• c: 14.571 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1047.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No