Crystallography Open Database

Information card for entry 4031721

Preview

Coordinates	4031721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 O2 P S
Calculated formula	C24 H27 O2 P S
SMILES	c1(ccccc1)SCC(O)P(=O)(CCc1ccccc1)CCc1ccccc1
Title of publication	Aerobic addition of secondary phosphine oxides to vinyl sulfides: a shortcut to 1-hydroxy-2-(organosulfanyl)ethyl(diorganyl)phosphine oxides.
Authors of publication	Malysheva, Svetlana F.; Artem'ev, Alexander V.; Gusarova, Nina K.; Belogorlova, Nataliya A.; Albanov, Alexander I.; Liu, C. W.; Trofimov, Boris A.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2015
Journal volume	11
Pages of publication	1985 - 1990
a	14.4632 ± 0.0006 Å
b	10.7632 ± 0.0005 Å
c	14.5754 ± 0.0006 Å
α	90°
β	105.357 ± 0.0013°
γ	90°
Cell volume	2187.94 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0901
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
173614 (current)	2016-01-06	cif/ Updating files of 4031721 Original log message: Adding full bibliography for 4031721.cif.	4031721.cif
169729	2015-10-24	cif/ Adding structures of 4031721 via cif-deposit CGI script.	4031721.cif