Crystallography Open Database

Information card for entry 7217309

Preview

Coordinates	7217309.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cabazitaxel tetrahydrofurane solvate
Formula	C45 H57 N O14
Calculated formula	C48.5 H64.02 N O15
Title of publication	Towards understanding P-gp resistance: a case study of the antitumour drug cabazitaxel
Authors of publication	Baisch, U.; Vella-Zarb, L.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	44
Pages of publication	10161
a	11.778 ± 0.005 Å
b	17.208 ± 0.007 Å
c	12.339 ± 0.005 Å
α	90°
β	109.747 ± 0.005°
γ	90°
Cell volume	2353.8 ± 1.7 Å³
Cell temperature	120.15 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1093
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.1698
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7217309.html