Crystallography Open Database

Information card for entry 1516425

Preview

Coordinates	1516425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 N S
Calculated formula	C23 H33 N S
SMILES	s1cccc1/C=N/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Thiophene-Phenyl Azomethines with Varying Rotational Barriers - Model Compounds for Examining Imine Fluorescence Deactivation
Authors of publication	Bourque, Alex N.; Dufresne, Stéphane; Skene, W. G.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2009
Journal volume	113
Journal issue	45
Pages of publication	19677
a	38.898 ± 0.003 Å
b	6.1786 ± 0.0005 Å
c	19.3956 ± 0.0018 Å
α	90°
β	112.449 ± 0.004°
γ	90°
Cell volume	4308.2 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1471
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1743
Weighted residual factors for all reflections included in the refinement	0.2173
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516425.cif
114856	2014-05-29	cif/ Adding structures of 1516425 via cif-deposit CGI script.	1516425.cif