Crystallography Open Database

Information card for entry 4508699

Preview

Coordinates	4508699.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] with acetic acid
Formula	C39 H32 N4 O5 S
Calculated formula	C39 H32 N4 O5 S
Title of publication	Structures and Chromogenic Properties of Bisimidazole Derivatives
Authors of publication	Fridman, N.; Speiser, S.; Kaftory, M.
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	7
Pages of publication	1653
a	11.057 ± 0.002 Å
b	12.024 ± 0.002 Å
c	13.433 ± 0.003 Å
α	74.34 ± 0.02°
β	83.28 ± 0.02°
γ	84.33 ± 0.02°
Cell volume	1703.6 ± 0.6 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1259
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1745
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508699.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4508699.cif
96867	2014-01-29	cif/ Adding structures of 4508699 via cif-deposit CGI script.	4508699.cif