Crystallography Open Database

Information card for entry 1514890

Preview

Coordinates	1514890.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30
Calculated formula	C38 H30
SMILES	Cc1cc(c2ccccc2)c(c(c1)c1ccccc1)c1c(cc(cc1c1ccccc1)C)c1ccccc1
Title of publication	π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization
Authors of publication	Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus
Journal of publication	Polymer Chemistry
Year of publication	2013
Journal volume	4
Journal issue	10
Pages of publication	2963
a	7.3789 ± 0.0002 Å
b	22.1571 ± 0.0008 Å
c	16.3043 ± 0.0005 Å
α	90°
β	102.057 ± 0.0018°
γ	90°
Cell volume	2606.87 ± 0.14 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for all reflections	0.0661
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0502
Goodness-of-fit parameter for all reflections included in the refinement	1.1061
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.	1514890.cif
110396	2014-04-18	cif/ Adding structures of 1514888, 1514889, 1514890, 1514891 via cif-deposit CGI script.	1514890.cif