Crystallography Open Database

Information card for entry 7241556

Preview

Coordinates	7241556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cl F4 N4 O7
Calculated formula	C26 H23 Cl F4 N4 O7
Title of publication	Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation
Authors of publication	Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	3
Pages of publication	653 - 662
a	23.6243 ± 0.0003 Å
b	7.4222 ± 0.0001 Å
c	15.1901 ± 0.0002 Å
α	90°
β	99.038 ± 0.001°
γ	90°
Cell volume	2630.43 ± 0.06 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
261629 (current)	2021-02-05	cif/ Updating files of 7241556 Original log message: Adding full bibliography for 7241556.cif.	7241556.cif
259312	2020-11-29	cif/ Adding structures of 7241556 via cif-deposit CGI script.	7241556.cif