Information card for entry 2004436

Structure parameters

• Formula: C13 H19 N O5
• Calculated formula: C13 H14 N O5
• SMILES: O1C[C@@H](O)[C@@H](O)[C@H](O)[C@@]1(O)CNc1ccc(cc1)C
• Title of publication: <i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal
• Authors of publication: Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 252 - 254
• a: 7.121 ± 0.004 Å
• b: 35.583 ± 0.007 Å
• c: 5.238 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.2 ± 1.3 ų
• Cell temperature: 296 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 significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for significantly intense reflections: 2.44
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No