Crystallography Open Database

Information card for entry 1566545

Preview

Coordinates	1566545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Cl Cu N6 O1.5
Calculated formula	C28 H28 Cl Cu N6 O1.5
Title of publication	Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Authors of publication	Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Journal of publication	Journal of medicinal chemistry
Year of publication	2022
Journal volume	65
Journal issue	3
Pages of publication	2238 - 2261
a	15.0147 ± 0.0007 Å
b	34.2629 ± 0.0015 Å
c	10.2999 ± 0.0004 Å
α	90°
β	107.565 ± 0.003°
γ	90°
Cell volume	5051.7 ± 0.4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 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	0.1017
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
273295 (current)	2022-03-04	cif/ Adding structures of 1566545 via cif-deposit CGI script.	1566545.cif