Information card for entry 4023056

Structure parameters

• Formula: C60 H84 I4 N8 O30
• Calculated formula: C60 H84 I4 N8 O30
• 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.O=C(OCC)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: 8.839 ± 0.003 Å
• b: 19.75 ± 0.007 Å
• c: 22.287 ± 0.007 Å
• α: 90°
• β: 97.521 ± 0.015°
• γ: 90°
• Cell volume: 3857 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.197
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.236
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No