Information card for entry 7153273

Structure parameters

• Formula: C17.5 H21 N6 O5
• Calculated formula: C17.5 H21 N6 O5
• Title of publication: Blue fluorescent deoxycytidine analogues: convergent synthesis, solid-state and electronic structure, and solvatochromism.
• Authors of publication: Dodd, David W.; Swanick, Kalen N.; Price, Jacquelyn T.; Brazeau, Allison L.; Ferguson, M. J.; Jones, Nathan D.; Hudson, Robert H. E.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 663 - 666
• a: 11.3994 ± 0.0014 Å
• b: 7.5273 ± 0.0009 Å
• c: 21.096 ± 0.003 Å
• α: 90°
• β: 97.767 ± 0.002°
• γ: 90°
• Cell volume: 1793.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0963
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No