Crystallography Open Database

Information card for entry 4106219

Preview

Coordinates	4106219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 N2 O15
Calculated formula	C47 H36 N2 O15
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	9.4628 ± 0.001 Å
b	14.493 ± 0.0015 Å
c	16.21 ± 0.0017 Å
α	99.907 ± 0.005°
β	98.249 ± 0.005°
γ	90.148 ± 0.005°
Cell volume	2166.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1719
Residual factor for significantly intense reflections	0.1067
Weighted residual factors for significantly intense reflections	0.2815
Weighted residual factors for all reflections included in the refinement	0.3246
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4106219.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106219.cif
53017	2012-04-17	cif/ Adding structures of 4106219 via cif-deposit CGI script.	4106219.cif