Crystallography Open Database

Information card for entry 4508700

Preview

Coordinates	4508700.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl] DMF dihydrate
Formula	C40 H24 N6 O4 S
Calculated formula	C40 H24 N6 O4 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	17.143 ± 0.003 Å
b	19.147 ± 0.004 Å
c	11.536 ± 0.002 Å
α	90°
β	96.79 ± 0.02°
γ	90 ± 0.002°
Cell volume	3760 ± 1.2 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.18
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.2557
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4508700.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.	4508700.cif
96868	2014-01-29	cif/ Adding structures of 4508700 via cif-deposit CGI script.	4508700.cif