Crystallography Open Database

Information card for entry 1549429

Preview

Coordinates	1549429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H48 Br2 Cu N4 O4
Calculated formula	C58 H48 Br2 Cu N4 O4
Title of publication	Polymerization of acrylates based on n-type organic semiconductors using Cu(0)-RDRP
Authors of publication	Tonge, Christopher M.; Sauvé, Ethan R.; Paisley, Nathan R.; Heyes, Jordan E.; Hudson, Zachary M.
Journal of publication	Polymer Chemistry
Year of publication	2018
Journal volume	9
Journal issue	24
Pages of publication	3359
a	16.4411 ± 0.0018 Å
b	8.849 ± 0.001 Å
c	18.948 ± 0.002 Å
α	90°
β	115.172 ± 0.002°
γ	90°
Cell volume	2494.9 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1164
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
230950 (current)	2019-11-17	cif/ Updating files of 1549429 Original log message: Adding full bibliography for 1549429.cif.	1549429.cif
207852	2018-05-18	cif/ Adding structures of 1549429 via cif-deposit CGI script.	1549429.cif