Crystallography Open Database

Information card for entry 1515340

Preview

Coordinates	1515340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N4 O3
Calculated formula	C25 H24 N4 O3
SMILES	c1ccccc1C1=NN(C)C(=O)N(C)N1C(COC(=O)c1ccccc1)c1ccccc1
Title of publication	A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate
Authors of publication	Rayner, Georgina; Smith, Timothy; Barton, William; Newton, Mark; Deeth, Robert J.; Prokes, Ivan; Clarkson, Guy J.; Haddleton, David M.
Journal of publication	Polymer Chemistry
Year of publication	2012
Journal volume	3
Journal issue	8
Pages of publication	2254
a	8.56617 ± 0.00018 Å
b	34.5561 ± 0.0006 Å
c	7.35229 ± 0.00014 Å
α	90°
β	95.27 ± 0.0018°
γ	90°
Cell volume	2167.18 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0401
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515340.cif
111141	2014-04-20	cif/ Adding structures of 1515340 via cif-deposit CGI script.	1515340.cif