Crystallography Open Database

Information card for entry 1544786

Preview

Coordinates	1544786.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(OC-6-44)-Diamminedichloridomethoxido[2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethylcarbamato]platinum(IV)
Formula	C8 H16 Cl2 N4 O5 Pt
Calculated formula	C8 H16 Cl2 N4 O5 Pt
SMILES	[Pt](Cl)(Cl)(OC(=O)NCCN1C(=O)C=CC1=O)(OC)([NH3])[NH3]
Title of publication	An albumin-based tumor-targeted oxaliplatin prodrug with distinctly improved anticancer activity in vivo
Authors of publication	Mayr, Josef; Heffeter, Petra; Groza, Diana; Galvez, Luis; Koellensperger, Gunda; Roller, Alexander; Alte, Beatrix; Haider, Melanie; Berger, Walter; Kowol, Christian R.; Keppler, Bernhard K.
Journal of publication	Chem. Sci.
Year of publication	2017
Journal volume	8
Journal issue	3
Pages of publication	2241
a	12.2584 ± 0.0007 Å
b	10.9135 ± 0.0006 Å
c	21.9058 ± 0.0013 Å
α	90°
β	104.66 ± 0.0018°
γ	90°
Cell volume	2835.2 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0281
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193731 (current)	2017-03-05	cif/ Updating files of 1544786, 1544787 Original log message: Adding full bibliography for 1544786--1544787.cif.	1544786.cif
189145	2016-12-16	cif/ Adding structures of 1544786, 1544787 via cif-deposit CGI script.	1544786.cif