Crystallography Open Database

Information card for entry 4031711

Preview

Coordinates	4031711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H34 Cu N4 O6
Calculated formula	C32 H34 Cu N4 O6
Title of publication	Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.
Authors of publication	Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2015
Journal volume	11
Pages of publication	1950 - 1959
a	32.848 ± 0.002 Å
b	9.4827 ± 0.0002 Å
c	9.8663 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3073.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1516
Weighted residual factors for all reflections included in the refinement	0.1566
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
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.	4031711.cif
173612	2016-01-06	cif/ Updating files of 4031711, 4031712 Original log message: Adding full bibliography for 4031711--4031712.cif.	4031711.cif
169656	2015-10-22	cif/ Adding structures of 4031711 via cif-deposit CGI script.	4031711.cif