Information card for entry 8101817

Structure parameters

• Common name: S,R-(+)-N-Methylephedrine
• Chemical name: S,R-(+)-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 S,R-(+)-N-methylephedrine, C~11~H~17~NO
• Authors of publication: R. J. Staples; A. A. Spencer
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 437 - 438
• a: 16.508 ± 0.005 Å
• b: 6.11 ± 0.0018 Å
• c: 11.165 ± 0.003 Å
• α: 90°
• β: 110.206 ± 0.005°
• γ: 90°
• Cell volume: 1056.8 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No