Crystallography Open Database

Information card for entry 7211221

Preview

Coordinates	7211221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H18 Cl F2 Li N2 O4
Calculated formula	C10 H6 Cl F2 Li N2 O4
SMILES	FC(=C[C@H]1CN([C@H](C(=O)N)CC)C(=[O][Li](Cl)([OH2])[OH2])C1)F
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	6.197 ± 0.004 Å
b	8.635 ± 0.002 Å
c	28.79 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1540.6 ± 1.2 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	0.0395
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7211221.cif
90233	2013-11-17	cif/ Adding structures of 7211220, 7211221, 7211222 via cif-deposit CGI script.	7211221.cif