Crystallography Open Database

Information card for entry 7242817

Preview

Coordinates	7242817.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	amoxicillin sodium
Formula	C16 H18 N3 Na O5 S
Calculated formula	C16 H18 N3 Na O5 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	10.6221 ± 0.001 Å
b	13.075 ± 0.003 Å
c	13.3414 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	1852.9 ± 0.5 Å³
Cell temperature	159.99 ± 0.1 K
Ambient diffraction temperature	159.99 ± 0.1 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	0.0796
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.124
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7242817.cif
265163	2021-05-13	cif/ Adding structures of 7242817, 7242818 via cif-deposit CGI script.	7242817.cif