Information card for entry 2208989

Structure parameters

• Chemical name: 2,3,4,6-Tetra-O-acetyl-N-(2-hydroxybenzylidene)-β-D-galactopyranosylamine
• Formula: C21 H25 N O10
• Calculated formula: C21 H25 N O10
• SMILES: Oc1ccccc1/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: 2,3,4,6-Tetra-<i>O</i>-acetyl-<i>N</i>-(2-hydroxybenzylidene)-β-<small>D</small>-galactopyranosylamine
• Authors of publication: Mehmet Akkurt; Sema Öztürk Yıldırım; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2069 - o2071
• a: 7.8014 ± 0.0004 Å
• b: 15.2381 ± 0.0011 Å
• c: 19.1271 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2273.8 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction 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 all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes