Information card for entry 2209759

Structure parameters

• Chemical name: N-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-O-acetyl-β-D- galactopyranosylamine
• Formula: C22 H27 N O11
• Calculated formula: C22 H27 N O11
• SMILES: Oc1c(OC)cccc1/C=N/[C@H]1O[C@H]([C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C
• Title of publication: <i>N</i>-(2-Hydroxy-3-methoxybenzylidene)-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosylamine
• Authors of publication: Sema Öztürk Yıldırım; Mehmet Akkurt; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3247 - o3248
• a: 8.6855 ± 0.0007 Å
• b: 7.6735 ± 0.0005 Å
• c: 18.5577 ± 0.0015 Å
• α: 90°
• β: 97.124 ± 0.007°
• γ: 90°
• Cell volume: 1227.29 ± 0.16 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0492
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes