Information card for entry 2242311

Structure parameters

• Chemical name: 1-Deoxy-1-(<i>N</i>-methyl-<i>p</i>-methoxyphenylamino)-<i>D</i>-fructose
• Formula: C14 H21 N O6
• Calculated formula: C14 H21 N O6
• SMILES: N(CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO)(c1ccc(OC)cc1)C
• Title of publication: Crystal structure of the acyclic form of 1-deoxy-1-[(4-methoxyphenyl)(methyl)amino]-<small>D</small>-fructose
• Authors of publication: Mossine, Valeri V.; Barnes, Charles L.; Mawhinney, Thomas P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 127 - 132
• a: 10.8002 ± 0.0015 Å
• b: 5.1439 ± 0.0007 Å
• c: 13.3931 ± 0.0019 Å
• α: 90°
• β: 98.382 ± 0.001°
• γ: 90°
• Cell volume: 736.11 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes