Information card for entry 2004466

Structure parameters

• Chemical name: 2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine
• Formula: C10 H12 Br N O3
• Calculated formula: C10 H12 Br N O3
• SMILES: Brc1ncc(cc1)[C@@H]1C[C@H](O)[C@H](O1)CO
• Title of publication: The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine
• Authors of publication: Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 407 - 409
• a: 7.686 ± 0.003 Å
• b: 7.242 ± 0.001 Å
• c: 9.924 ± 0.001 Å
• α: 90°
• β: 98.31 ± 0.02°
• γ: 90°
• Cell volume: 546.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.1132
• Goodness-of-fit parameter for all reflections: 0.909
• Goodness-of-fit parameter for significantly intense reflections: 0.932
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No