Crystallography Open Database

Information card for entry 7233579

Preview

Coordinates	7233579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H55 N3 S2 Si2
Calculated formula	C30 H55 N3 S2 Si2
SMILES	[Si](c1nc2n(c3nc([Si](C(C)C)(C(C)C)C(C)C)sc3c2s1)CCCCCC)(C(C)C)(C(C)C)C(C)C
Title of publication	Pyrrole[3,2-d:4,5-d']bisthiazole-bridged bis(naphthalene diimide)s as electron-transport materials
Authors of publication	Yulia A. Getmanenko; Sanjeev Singh; Bhupinder Sandhu; Cheng-Yin Wang; Tatiana Timofeeva; Bernard Kippelen; Seth R. Marder
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	124 - 131
a	7.985 ± 0.005 Å
b	11.898 ± 0.007 Å
c	20.22 ± 0.011 Å
α	73.605 ± 0.012°
β	78.698 ± 0.012°
γ	74.512 ± 0.012°
Cell volume	1760.8 ± 1.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.111
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
217867 (current)	2019-08-30	cif/ Adding structures of 7233579 via cif-deposit CGI script.	7233579.cif