Crystallography Open Database

Information card for entry 7223963

Preview

Coordinates	7223963.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM
Chemical name	ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM
Formula	C11 H21 N5 Na O10 P
Calculated formula	C11 H21 N5 Na O10 P
SMILES	P1(=O)(O[C@H]2[C@@H](O)[C@H](n3c4ncnc(N)c4nc3)O[C@@H]2CO1)[O-].O.[Na+].O.O.OC
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	6.5021 ± 0.001 Å
b	7.0943 ± 0.0011 Å
c	39.198 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1808.1 ± 0.5 Å³
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	0.0505
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177741 (current)	2016-03-05	cif/ Updating files of 7223962, 7223963 Original log message: Adding full bibliography for 7223962--7223963.cif.	7223963.cif
174816	2016-01-23	cif/ Adding structures of 7223962, 7223963 via cif-deposit CGI script.	7223963.cif