Information card for entry 4023058

Structure parameters

• Formula: C14 H19 I N2 O7
• Calculated formula: C14 H19 I N2 O7
• SMILES: IC1C(=O)NC(=O)N(C=1)[C@@H]1OC(O[C@@H]1[C@@H](OC)[C@@H](OC=O)C)(C)C
• Title of publication: One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions
• Authors of publication: Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9523 - 9532
• a: 8.1672 ± 0.0003 Å
• b: 13.4581 ± 0.0006 Å
• c: 31.873 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3503.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0896
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No