Crystallography Open Database

Information card for entry 4505075

Preview

Coordinates	4505075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Cu N3 O5
Calculated formula	C24 H16 Cu N3 O5
Title of publication	Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions
Authors of publication	Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	4
Pages of publication	1485
a	14.268 ± 0.0005 Å
b	12.7763 ± 0.0006 Å
c	11.8165 ± 0.0001 Å
α	90°
β	101.347 ± 0.002°
γ	90°
Cell volume	2111.95 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
179585 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/50.	4505075.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505075.cif
50142	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505075 via cif-deposit CGI script.	4505075.cif