Crystallography Open Database

Information card for entry 7217828

Preview

Coordinates	7217828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl4 N2
Calculated formula	C26 H20 Cl4 N2
SMILES	c1(c2ccccc2)[nH]c2c(c(ccc2c2ccccc2)c2ccccc2)[nH+]1.C(Cl)(Cl)Cl.[Cl-]
Title of publication	2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters
Authors of publication	Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.
Journal of publication	RSC Advances
Year of publication	2014
a	7.2022 ± 0.0002 Å
b	13.4802 ± 0.0004 Å
c	23.7766 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2308.4 ± 0.12 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180509 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78.	7217828.cif
122601	2014-08-29	cif/ Adding structures of 7217827, 7217828 via cif-deposit CGI script.	7217828.cif