Crystallography Open Database

Information card for entry 7217308

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Structure parameters

Chemical name	Cabazitaxel ethanol solvate hemihydrate
Formula	C47 H63 N O15.5
Calculated formula	C47 H63 N O15.5
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	12.542 ± 0.002 Å
b	8.6716 ± 0.0016 Å
c	42.09 ± 0.008 Å
α	90°
β	89.987 ± 0.002°
γ	90°
Cell volume	4577.7 ± 1.4 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	0.0575
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.6889 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7217308.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7217308.cif
126356	2014-11-06	cif/ Updating files of 7217306, 7217307, 7217308, 7217309, 7217310 Original log message: Adding full bibliography for 7217306--7217310.cif.	7217308.cif
121094	2014-08-02	cif/ Adding structures of 7217306, 7217307, 7217308, 7217309, 7217310 via cif-deposit CGI script.	7217308.cif