Information card for entry 7223962

Structure parameters

• Common name: cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT
• Chemical name: ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM
• Formula: C10 H21 N5 Na O11 P
• Calculated formula: C10 H21 N5 Na O11 P
• SMILES: c1(c2c(ncn1)n(cn2)[C@H]1[C@@H]([C@H]2[C@@H](COP(=O)(O2)[O-])O1)O)N.[Na+].O.O.O.O.O
• Title of publication: Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents
• Authors of publication: Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 1699
• a: 6.5585 ± 0.0012 Å
• b: 7.047 ± 0.0013 Å
• c: 38.869 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1796.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No