Crystallography Open Database

Information card for entry 4072291

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Structure parameters

Formula	C15 H13 N2 P S
Calculated formula	C15 H13 N2 P S
SMILES	c1(N)ncc(P(c2ccccc2)c2ccccc2)s1
Title of publication	Thiazolyl Phosphine Ligands for Copper-Catalyzed Arylation and Vinylation of Nucleophiles in Organic and Aqueous Media
Authors of publication	Oshovsky, Gennady V.; Ouali, Armelle; Xia, Ning; Zablocka, Maria; Boeré, René T.; Duhayon, Carine; Taillefer, Marc; Majoral, Jean Pierre
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	21
Pages of publication	5733
a	6.0288 ± 0.0004 Å
b	18.5959 ± 0.0008 Å
c	12.3146 ± 0.0006 Å
α	90°
β	93.68 ± 0.004°
γ	90°
Cell volume	1377.75 ± 0.13 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for all reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0327
Weighted residual factors for all reflections included in the refinement	0.0327
Goodness-of-fit parameter for all reflections included in the refinement	1.1056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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