Information card for entry 4023057

Structure parameters

• Formula: C26 H25 N3 O8
• Calculated formula: C26 H25 N3 O8
• SMILES: O=c1n(ccc(n1)NC(=O)c1ccccc1)[C@H]1OC(O[C@@H]1[C@H](OC=O)COC(=O)c1ccccc1)(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: 7.2301 ± 0.0002 Å
• b: 17.5814 ± 0.0008 Å
• c: 19.1174 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2430.11 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No