Crystallography Open Database

Information card for entry 1544787

Preview

Coordinates	1544787.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(OC-6-44)-Acetatodiamminedichlorido[2-(2,5-dioxopyrrolidin-1-yl)ethyl)carbamato]platinum(IV)
Formula	C9 H20 Cl2 N4 O7 Pt
Calculated formula	C9 H20 Cl2 N4 O7 Pt
SMILES	[Pt](Cl)(Cl)(OC(=O)NCCN1C(=O)CCC1=O)(OC(=O)C)([NH3])[NH3].O
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	27.345 ± 0.005 Å
b	10.1753 ± 0.0011 Å
c	12.3345 ± 0.0013 Å
α	90°
β	101.328 ± 0.005°
γ	90°
Cell volume	3365.1 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	1544787.cif
189145	2016-12-16	cif/ Adding structures of 1544786, 1544787 via cif-deposit CGI script.	1544787.cif