Crystallography Open Database

Information card for entry 1518660

Preview

Coordinates	1518660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 F O2 S2
Calculated formula	C20 H21 F O2 S2
SMILES	S(C(=C(CCc1ccc(F)cc1)C(=O)c1cccc(OC)c1)SC)C
Title of publication	Brønsted Acid Catalyzed PhSe Transfer versus Radical Aryl Transfer: Linear Codimerization of Styrenes and Internal Olefins.
Authors of publication	Wu, Ping; Wang, Liandi; Wu, Kaikai; Yu, Zhengkun
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	868 - 871
a	10.5963 ± 0.0005 Å
b	16.7072 ± 0.0009 Å
c	10.9555 ± 0.0006 Å
α	90°
β	95.184 ± 0.005°
γ	90°
Cell volume	1931.57 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0622
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
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.	1518660.cif
132987	2015-03-04	cif/ Updating files of 1518659, 1518660 Original log message: Adding full bibliography for 1518659--1518660.cif.	1518660.cif
130882	2015-02-04	cif/ Adding structures of 1518659, 1518660 via cif-deposit CGI script.	1518660.cif