Crystallography Open Database

Information card for entry 7112567

Preview

Coordinates	7112567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H63 Cl N2 O6 Zn
Calculated formula	C49 H63 Cl N2 O6 Zn
Title of publication	DNA binding and cytotoxicity of fluorescent curcumin-based Zn(ii) complexes
Authors of publication	Pucci, Daniela; Bellini, Tommaso; Crispini, Alessandra; D'Agnano, Igea; Liguori, Paola F.; Garcia-Orduña, Pilar; Pirillo, Sante; Valentini, Alessandra; Zanchetta, Giuliano
Journal of publication	MedChemComm
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	462
a	9.608 ± 0.001 Å
b	14.966 ± 0.001 Å
c	17.648 ± 0.001 Å
α	112.645 ± 0.001°
β	98.126 ± 0.001°
γ	90.686 ± 0.002°
Cell volume	2312.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2275
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.7378 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180239 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/25.	7112567.cif
111086	2014-04-20	cif/ Adding structures of 7112567 via cif-deposit CGI script.	7112567.cif