Information card for entry 2022851

Structure parameters

• Chemical name: 2'-Deoxyguanosine dimethyl sulfoxide disolvate
• Formula: C14 H25 N5 O6 S2
• Calculated formula: C14 H25 N5 O6 S2
• Title of publication: Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate
• Authors of publication: Spingler, Bernhard
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 852 - 855
• a: 9.759 ± 0.0001 Å
• b: 11.7951 ± 0.0002 Å
• c: 16.7553 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1928.68 ± 0.04 ų
• Cell temperature: 183.15 K
• Ambient diffraction temperature: 183.15 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: 0.0355
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes