Crystallography Open Database

Information card for entry 1515338

Preview

Coordinates	1515338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H11 N5
Calculated formula	C20 H11 N5
SMILES	N#CC(=C(C(=C(C#N)C#N)c1ccc(cc1)N)c1ccc(cc1)N)C#N
Title of publication	Effects of click postfunctionalization on thermal stability and field effect transistor performances of aromatic polyamines
Authors of publication	Michinobu, Tsuyoshi; Seo, Chayeon; Noguchi, Keiichi; Mori, Takehiko
Journal of publication	Polymer Chemistry
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	1427
a	12.1481 ± 0.0003 Å
b	12.1481 ± 0.0003 Å
c	10.9626 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1617.82 ± 0.08 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	3
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	1515338.cif
111139	2014-04-20	cif/ Adding structures of 1515337, 1515338 via cif-deposit CGI script.	1515338.cif