Information card for entry 2021236

Structure parameters

• Common name: Disodium guanosine 5'-monophosphate tetrahydrate
• Formula: C10 H20 N5 Na2 O12 P
• Calculated formula: C10 H19 N5 Na2 O12 P
• SMILES: c1(N)[nH]c(=O)c2c(n1)n(cn2)[C@H]1[C@@H](O)[C@@H]([C@@H](COP(=O)([O-])[O-])O1)O.[Na+].O.[Na+].O.O.O
• Title of publication: Crystal structure and sequential dehydration transitions of disodium guanosine 5'-monophosphate tetrahydrate
• Authors of publication: Tsubonoya, Masaaki; Murofushi, Akitaka; Yamamura, Shigefumi; Sugawara, Yoko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1153 - 1159
• a: 5.5965 ± 0.0008 Å
• b: 10.7222 ± 0.0017 Å
• c: 15.71 ± 0.003 Å
• α: 90°
• β: 98.796 ± 0.009°
• γ: 90°
• Cell volume: 931.6 ± 0.3 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 ± 1 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: 0.036
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes