Information card for entry 2004580

Structure parameters

• Formula: C10 H17 B N4 O5
• Calculated formula: C10 H17 B N4 O5
• Title of publication: 2'-Deoxycytidine-N(3)-cyanoborane Monohydrate
• Authors of publication: Singh, P.; Zottola, M.; Huang, S.; Shaw, B. R.; Pedersen, L. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 693 - 696
• a: 6.879 ± 0.002 Å
• b: 8.215 ± 0.002 Å
• c: 11.961 ± 0.002 Å
• α: 90°
• β: 93.3 ± 0.2°
• γ: 90°
• Cell volume: 674.8 ± 0.3 ų
• Cell temperature: 298 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 significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0511
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No