Information card for entry 2020503

Structure parameters

• Common name: Adenosine 3':5'-cyclic phosphate 0.3-hydrate
• Chemical name: Adenosine 3':5'-cyclic phosphate 0.3-hydrate
• Formula: C10 H12.6 N5 O6.3 P
• Calculated formula: C10 H12.63 N5 O6.315 P
• Title of publication: Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP
• Authors of publication: Ślepokura, Katarzyna Anna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• a: 7.786 ± 0.002 Å
• b: 10.638 ± 0.003 Å
• c: 29.887 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2475.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes