Crystallography Open Database

Information card for entry 1505124

Preview

Coordinates	1505124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H100 F10 O4
Calculated formula	C70 H100 F10 O4
SMILES	CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)c(C#Cc2c(F)c(F)c(c(c2F)F)F)c(c(c1C#Cc1c(F)c(F)c(c(c1F)F)F)OCCCCCCCCCCCC)OCCCCCCCCCCCC
Title of publication	Alternating Arene−Perfluoroarene Poly(phenylene ethynylenes)
Authors of publication	Woody, Kathy B.; Bullock, Joseph E.; Parkin, Sean R.; Watson, Mark D.
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	13
Pages of publication	4470
a	7.476 ± 0.0001 Å
b	10.075 ± 0.0001 Å
c	21.871 ± 0.0003 Å
α	92.96 ± 0.0005°
β	96.22 ± 0.0005°
γ	94.345 ± 0.0005°
Cell volume	1629.96 ± 0.04 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0608
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	1505124.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505124.cif
45364	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505124, 1505125 via cif-deposit CGI script.	1505124.cif