Information card for entry 4023059

Structure parameters

• Formula: C16 H21 N3 O5
• Calculated formula: C16 H21 N3 O5
• SMILES: O1[C@H](n2nnc3ccccc23)[C@H](OC1(C)C)[C@@H](OC)[C@@H](OC=O)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: 15.9578 ± 0.0007 Å
• b: 6.217 ± 0.0004 Å
• c: 17.4652 ± 0.001 Å
• α: 90°
• β: 101.03 ± 0.002°
• γ: 90°
• Cell volume: 1700.71 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No