Crystallography Open Database

Information card for entry 1504417

Preview

Coordinates	1504417.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H42 N2 O6
Calculated formula	C27 H42 N2 O6
SMILES	O=C(OC1CC([N](=O)C(C1)(C)C)(C)C)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)OC1CC([N](=O)C(C1)(C)C)(C)C
Title of publication	Synthesis, Characterization, and Charge/Discharge Properties of Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at High Density
Authors of publication	Katsumata, Toru; Qu, Jinqing; Shiotsuki, Masashi; Satoh, Masaharu; Wada, Jun; Igarashi, Jun; Mizoguchi, Kenji; Masuda, Toshio
Journal of publication	Macromolecules
Year of publication	2008
Journal volume	41
Journal issue	4
Pages of publication	1175
a	12.127 ± 0.005 Å
b	20.474 ± 0.006 Å
c	10.506 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2608.5 ± 1.7 Å³
Cell temperature	113.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504417.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504417.cif
42031	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504417 via cif-deposit CGI script.	1504417.cif