Crystallography Open Database

Information card for entry 4106218

Preview

Coordinates	4106218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.4 H45.58 N2 O13.4
Calculated formula	C47.396 H40 N2 O13.396
Title of publication	Semiconducting Organic Assemblies Prepared from Tetraphenylethylene Tetracarboxylic Acid and Bis(pyridine)s via Charge-Assisted Hydrogen Bonding
Authors of publication	Pradeep P. Kapadia; Lindsay R. Ditzler; Jonas Baltrusaitis; Dale C. Swenson; Alexei V. Tivanski; F. Christopher Pigge
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8490 - 8493
a	36.557 ± 0.004 Å
b	12.51 ± 0.0014 Å
c	9.2151 ± 0.001 Å
α	90°
β	96.781 ± 0.005°
γ	90°
Cell volume	4184.8 ± 0.8 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	4
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	0.1284
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4106218.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106218.cif
53016	2012-04-17	cif/ Adding structures of 4106218 via cif-deposit CGI script.	4106218.cif