Information card for entry 2012351

Structure parameters

• Chemical name: N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine
• Formula: C20 H32 N2 O9
• Calculated formula: C20 H32 N2 O9
• SMILES: O1[C@@H](\N=C(\N(CC)CC)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C
• Title of publication: <i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^2^-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)acetamidine
• Authors of publication: Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1297 - 1298
• a: 10.44 ± 0.002 Å
• b: 27.647 ± 0.005 Å
• c: 8.012 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.103
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.182
• Goodness-of-fit parameter for all reflections: 1.118
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes