Information card for entry 8102292

Structure parameters

• Chemical name: methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-a-D-galactopyranoside
• Formula: C14 H19 I2 N3 O4
• Calculated formula: C14 H19 I2 N3 O4
• SMILES: I[C@H]1[C@H](O[C@H](OC)[C@H](/N=C(n2cncc2)\C)[C@H]1OC(=O)C)CI
• Title of publication: Crystal structure of methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-α-D-galactopyranoside, C14H19I2N3O4
• Authors of publication: Wolfgang Frey; Robert Sardzik; Volker Jäger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 257
• a: 10.4449 ± 0.0019 Å
• b: 11.327 ± 0.002 Å
• c: 15.937 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No