Crystallography Open Database

Information card for entry 7242818

Preview

Coordinates	7242818.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	amoxicillin sodium solvate
Formula	C20 H28 N3 Na O8 S
Calculated formula	C20 H28 N3 Na O8 S
Title of publication	Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism
Authors of publication	Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	22
Pages of publication	3995 - 4004
a	9.9361 ± 0.0007 Å
b	15.3223 ± 0.001 Å
c	15.6894 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2388.6 ± 0.3 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 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	0.0898
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.1329
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
267109 (current)	2021-07-05	cif/ Updating files of 7242817, 7242818 Original log message: Adding full bibliography for 7242817--7242818.cif.	7242818.cif
265163	2021-05-13	cif/ Adding structures of 7242817, 7242818 via cif-deposit CGI script.	7242818.cif