Information card for entry 2009920

Structure parameters

• Chemical name: 2,3,4,5,6-Penta-O-acetyl-D-galactonic Acid 1'-Phenyl-2'-ethoxycarbonylvinyl Ester
• Formula: C27 H32 O14
• Calculated formula: C27 H32 O14
• SMILES: O=C([C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C)O\C(=C/C(=O)OCC)c1ccccc1
• Title of publication: 2,3,4,5,6-Penta-<i>O</i>-acetyl-<small>D</small>-galactonic acid 1'-phenyl-2'-ethoxycarbonylvinyl ester
• Authors of publication: Kopf, Jürgen; Abeln, Dirk; Köll, Peter; Meisel, Roland; Peseke, Klaus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1335 - 1337
• a: 11.775 ± 0.001 Å
• b: 7.763 ± 0.001 Å
• c: 16.283 ± 0.001 Å
• α: 90°
• β: 93.79 ± 0.01°
• γ: 90°
• Cell volume: 1485.2 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.1124
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No