Information card for entry 7241995

Structure parameters

• Common name: ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA
• Chemical name: Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate
• Formula: C20 H38 N10 Na2 O20 P2
• Calculated formula: C20 H38 N10 Na2 O20 P2
• Title of publication: Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation
• Authors of publication: Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 174 - 184
• a: 5.8453 ± 0.0012 Å
• b: 21.435 ± 0.005 Å
• c: 13.955 ± 0.003 Å
• α: 90°
• β: 95.506 ± 0.003°
• γ: 90°
• Cell volume: 1740.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No