Information card for entry 7240369

Structure parameters

• Chemical name: 1'-Homo-N-2'-deoxy-alfa-adenosine
• Formula: C11 H15 N5 O3
• Calculated formula: C11 H15 N5 O3
• SMILES: n1cnc2n(cnc2c1N)C[C@@H]1C[C@@H]([C@@H](CO)O1)O
• Title of publication: Novel 1′-homo-N-2′-deoxy-α-nucleosides: synthesis, characterization and biological activity
• Authors of publication: Carnero, Alejandro; Martín-Nieves, Virginia; Sanghvi, Yogesh S.; Russel, Olivia O.; Bassit, Leda; Schinazi, Raymond F.; Fernández, Susana; Ferrero, Miguel
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 27
• Pages of publication: 15815 - 15824
• a: 15.8711 ± 0.0006 Å
• b: 8.04111 ± 0.00018 Å
• c: 16.4342 ± 0.0005 Å
• α: 90°
• β: 117.058 ± 0.004°
• γ: 90°
• Cell volume: 1867.79 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No