Information card for entry 2229198

Structure parameters

• Common name: 1-[bis(phenylmethyl)amino]-1-deoxy-4,5-O-isopropylidene-β-D-Fructopyranose
• Chemical name: 1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<i>D</i>-\ fructopyranose
• Formula: C23 H29 N O5
• Calculated formula: C23 H29 N O5
• SMILES: N(C[C@]1(OC[C@H]2OC(O[C@H]2[C@@H]1O)(C)C)O)(Cc1ccccc1)Cc1ccccc1
• Title of publication: 1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<small>D</small>-fructopyranose
• Authors of publication: Huo, Shiyong; Li, Yueqing; Liang, Chaoyan; Liu, Jihong; Zhao, Weijie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o387
• a: 8.328 ± 0.003 Å
• b: 15.635 ± 0.005 Å
• c: 16.547 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2154.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0487
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes