Information card for entry 7206579

Structure parameters

• Formula: C15 H20 N6 O6 S
• Calculated formula: C15 H20 N6 O6 S
• Title of publication: Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.
• Authors of publication: Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 38
• Pages of publication: 17405 - 17412
• a: 4.8367 ± 0.0006 Å
• b: 12.1128 ± 0.0018 Å
• c: 30.967 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No