Information card for entry 2020317

Structure parameters

• Common name: Thymidine 3':5'-cyclic phosphate sodium salt heptahydrate
• Chemical name: Sodium thymidine 3':5'-cyclic phosphate heptahydrate
• Formula: C10 H26 N2 Na O14 P
• Calculated formula: C10 H26 N2 Na O14 P
• SMILES: P1(=O)([O-])O[C@H]2C[C@@H](O[C@@H]2CO1)N1C(=O)NC(=O)C(=C1)C.[Na+].O.O.O.O.O.O.O
• 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: 11.307 ± 0.003 Å
• b: 6.17 ± 0.002 Å
• c: 14.678 ± 0.004 Å
• α: 90°
• β: 111.06 ± 0.03°
• γ: 90°
• Cell volume: 955.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes