Information card for entry 2204412

Structure parameters

• Formula: C33 H48 Cl N O9
• Calculated formula: C33 H48 Cl N O9
• SMILES: Clc1ccc(/C=N/[C@@H]2O[C@@H]([C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]2OC(=O)C(C)(C)C)COC(=O)C(C)(C)C)cc1
• Title of publication: 4-Chloro-<i>N</i>-(2,3,4,6-tetra-<i>O</i>-pivaloyl-β-<small>D</small>-galactopyranosyl)benzylideneamine
• Authors of publication: Guo-Bin Zhou; Yong Ni; Peng-Fei Zhang; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1905 - o1906
• a: 10.9898 ± 0.0004 Å
• b: 15.7406 ± 0.0007 Å
• c: 20.7781 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594.3 ± 0.2 ų
• Cell temperature: 295 ± 1 K
• Number of distinct elements: 5
• 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes