Information card for entry 2020318

Structure parameters

• Common name: Thymidine 3':5'-cyclic phosphate sodium salt 3.7-hydrate
• Chemical name: Sodium thymidine 3':5'-cyclic phosphate 3.7-hydrate
• Formula: C10 H19.4 N2 Na O10.7 P
• Calculated formula: C10 H14.8225 N2 Na O10.7189 P
• Title of publication: 3':5'-Cyclic nucleotides: two sodium salts of cdTMP
• Authors of publication: Ślepokura, Katarzyna Anna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 35 - 47
• a: 32.936 ± 0.008 Å
• b: 19.718 ± 0.004 Å
• c: 21.569 ± 0.005 Å
• α: 90°
• β: 112.18 ± 0.03°
• γ: 90°
• Cell volume: 12971 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes