Crystallography Open Database

Information card for entry 1505022

Preview

Coordinates	1505022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H37 Cl N8 O6 Pt S
Calculated formula	C24 H37 Cl N8 O6 Pt S
SMILES	[Pt]1(Cl)([S]=C(NC)N(CCNc2c3ccccc3[nH+]c3ccccc23)C)[N](CC[N]1(C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
Title of publication	Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity.
Authors of publication	Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich
Journal of publication	Journal of medicinal chemistry
Year of publication	2007
Journal volume	50
Journal issue	9
Pages of publication	2259 - 2263
a	7.266 ± 0.0007 Å
b	11.8032 ± 0.0012 Å
c	17.193 ± 0.0017 Å
α	95.598 ± 0.002°
β	92.629 ± 0.002°
γ	94.082 ± 0.002°
Cell volume	1461.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505022.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505022.cif
45282	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505020, 1505021, 1505022, 1505023 via cif-deposit CGI script.	1505022.cif