Crystallography Open Database

Information card for entry 7211220

Preview

Coordinates	7211220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Br F4 Li N4 O4
Calculated formula	C20 H28 Br F4 Li N4 O4
Title of publication	Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts
Authors of publication	Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	44
Pages of publication	8898
a	10.184 ± 0.001 Å
b	24.895 ± 0.003 Å
c	10.777 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2732.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1071
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180443 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/12.	7211220.cif
90233	2013-11-17	cif/ Adding structures of 7211220, 7211221, 7211222 via cif-deposit CGI script.	7211220.cif