Crystallography Open Database

Information card for entry 4113010

Preview

Coordinates	4113010.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N O2
Calculated formula	C22.008 H19 N O2
Title of publication	Substituent-Dependent Photoinduced Intramolecular Charge Transfer in N-Aryl-Substituted trans-4-Aminostilbenes
Authors of publication	Jye-Shane Yang; Kang-Ling Liau; Chin-Min Wang; Chung-Yu Hwang
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12325 - 12335
a	38.704 ± 0.004 Å
b	7.4399 ± 0.0008 Å
c	5.9673 ± 0.0006 Å
α	90°
β	92.97 ± 0.002°
γ	90°
Cell volume	1716 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
178901 (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 4/11/30.	4113010.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113010.cif
65430	2012-09-05	cif/ Adding structures of 4113010 via cif-deposit CGI script.	4113010.cif