Crystallography Open Database

Information card for entry 4031712

Preview

Coordinates	4031712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cu O8
Calculated formula	C36 H34 Cu O8
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	8.3624 ± 0.0002 Å
b	13.5055 ± 0.0003 Å
c	14.8586 ± 0.001 Å
α	76.556 ± 0.005°
β	82.642 ± 0.006°
γ	85.677 ± 0.006°
Cell volume	1616.87 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.057
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1283
Weighted residual factors for all reflections included in the refinement	0.1595
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4031712.cif
173612	2016-01-06	cif/ Updating files of 4031711, 4031712 Original log message: Adding full bibliography for 4031711--4031712.cif.	4031712.cif
169657	2015-10-22	cif/ Adding structures of 4031712 via cif-deposit CGI script.	4031712.cif