Crystallography Open Database

Information card for entry 1512141

Preview

Coordinates	1512141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H60 O2 Se
Calculated formula	C33 H60 O2 Se
SMILES	c1c2CC(COCCCCCCCCCCCC)(COCCCCCCCCCCCC)Cc2c[se]1
Title of publication	Synthesis of Solution-Processable Poly(cyclopenta[c]selenylvinylene) and Its Charge Transport Properties: Comparative Study with the Thiophene Analogue
Authors of publication	Bedi, Anjan; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.
Journal of publication	Macromolecules
Year of publication	2013
Journal volume	46
Journal issue	15
Pages of publication	5943
a	6.8031 ± 0.0007 Å
b	8.5452 ± 0.001 Å
c	28.068 ± 0.003 Å
α	94.379 ± 0.003°
β	96.284 ± 0.002°
γ	92.234 ± 0.003°
Cell volume	1615.3 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1548
Residual factor for significantly intense reflections	0.1131
Weighted residual factors for significantly intense reflections	0.3242
Weighted residual factors for all reflections included in the refinement	0.4162
Goodness-of-fit parameter for all reflections included in the refinement	1.925
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.	1512141.cif
87849	2013-08-27	cif/ Adding structures of 1512141 via cif-deposit CGI script.	1512141.cif