Crystallography Open Database

Information card for entry 1517491

Preview

Coordinates	1517491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H27 N5 O2
Calculated formula	C13 H27 N5 O2
SMILES	C1(=O)N(C(=O)N(C(N1CC)(N(C)C)N(C)C)CC)CC
Title of publication	Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization
Authors of publication	Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.
Journal of publication	Polym. Chem.
Year of publication	2014
Journal volume	5
Journal issue	23
Pages of publication	6678
a	12.6187 ± 0.0002 Å
b	15.3717 ± 0.0003 Å
c	15.8322 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3070.99 ± 0.1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
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.	1517491.cif
126564	2014-11-06	cif/ Updating files of 1517491, 1517492 Original log message: Adding full bibliography for 1517491--1517492.cif.	1517491.cif
122725	2014-09-03	cif/ Adding structures of 1517491, 1517492 via cif-deposit CGI script.	1517491.cif