Crystallography Open Database

Information card for entry 7227165

Preview

Coordinates	7227165.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bosutinib anhydrate
Formula	C26 H29 Cl2 N5 O3
Calculated formula	C26 H29 Cl2 N5 O3
Title of publication	Rationalization of the formation and stability of bosutinib solvated forms
Authors of publication	Tieger, Eszter; Kiss, Violetta; Pokol, György; Finta, Zoltán; Rohlíček, Jan; Skořepová, Eliška; Dušek, Michal
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	9260
a	24.1866 ± 0.0011 Å
b	8.1122 ± 0.0002 Å
c	13.0215 ± 0.0006 Å
α	90°
β	91.868 ± 0.003°
γ	90°
Cell volume	2553.55 ± 0.18 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.077
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for all reflections	0.1022
Weighted residual factors for significantly intense reflections	0.1022
Goodness-of-fit parameter for all reflections	3.88
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190076 (current)	2017-01-09	cif/ Updating files of 7227156, 7227157, 7227158, 7227159, 7227160, 7227161, 7227162, 7227163, 7227164, 7227165, 7227166 Original log message: Adding full bibliography for 7227156--7227166.cif.	7227165.cif
188639	2016-11-23	cif/ Adding structures of 7227156, 7227157, 7227158, 7227159, 7227160, 7227161, 7227162, 7227163, 7227164, 7227165, 7227166 via cif-deposit CGI script.	7227165.cif