Crystallography Open Database

Information card for entry 1540029

Preview

Coordinates	1540029.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HPC3
Formula	C28 H20 Cu O7
Calculated formula	C28 H20 Cu O7
Title of publication	A fluorosurfactant and photoreducible Cu(II)-tren click catalyst: surfactant and catalytic properties at liquid/liquid interfaces.
Authors of publication	Jochyms, Quentin; Guillot, Pierre; Mignard, Emmanuel; Vincent, Jean-Marc
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	45
Pages of publication	19700 - 19707
a	12.3691 ± 0.0011 Å
b	13.9416 ± 0.0013 Å
c	13.8663 ± 0.0013 Å
α	90°
β	100.45 ± 0.002°
γ	90°
Cell volume	2351.5 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.071
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1540029.cif
171166	2015-12-09	cif/ Updating files of 1540029 Original log message: Adding full bibliography for 1540029.cif.	1540029.cif
169165	2015-10-15	cif/ Adding structures of 1540029 via cif-deposit CGI script.	1540029.cif