Crystallography Open Database

Information card for entry 1515384

Preview

Coordinates	1515384.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	resveratrol tricyanate
Formula	C17 H9 N3 O3
Calculated formula	C17 H9 N3 O3
SMILES	O(C#N)c1ccc(/C=C/c2cc(OC#N)cc(OC#N)c2)cc1
Title of publication	High Tg thermosetting resins from resveratrol
Authors of publication	Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.
Journal of publication	Polymer Chemistry
Year of publication	2013
Journal volume	4
Journal issue	13
Pages of publication	3859
a	3.9559 ± 0.0003 Å
b	20.3303 ± 0.0014 Å
c	18.2471 ± 0.0013 Å
α	90°
β	95.041 ± 0.001°
γ	90°
Cell volume	1461.84 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0947
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	1515384.cif
111470	2014-04-23	cif/ Adding structures of 1515384, 1515385 via cif-deposit CGI script.	1515384.cif