Information card for entry 2005079

Structure parameters

• Formula: C10 H15 B N4 O4
• Calculated formula: C10 H15 B N4 O4
• Title of publication: 2'-Deoxycytidine-<i>N</i>3-cyanoborane
• Authors of publication: Gao, Q.; Sood, A.; Ramsay Shaw, B.; Williams, L. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1823 - 1825
• a: 8.144 ± 0.001 Å
• b: 21.772 ± 0.001 Å
• c: 6.966 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1235.1 ± 0.2 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.042
• Goodness-of-fit parameter for significantly intense reflections: 1.505
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No