Crystallography Open Database

Information card for entry 4115755

Preview

Coordinates	4115755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(E)-stilbene
Chemical name	(E)-1,2-diphenylethene
Formula	C14 H12
Calculated formula	C14 H12
Title of publication	Invisible but Common Motion in Organic Crystals: A Pedal Motion in Stilbenes and Azobenzenes
Authors of publication	Jun Harada; Keiichiro Ogawa
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	10884 - 10888
a	12.3803 ± 0.0006 Å
b	5.7259 ± 0.0003 Å
c	15.7236 ± 0.0008 Å
α	90°
β	111.895 ± 0.001°
γ	90°
Cell volume	1034.22 ± 0.09 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
178928 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/57.	4115755.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115755.cif
69479	2012-12-18	cif/ Adding structures of 4115755 via cif-deposit CGI script.	4115755.cif