Crystallography Open Database

Information card for entry 4025914

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Coordinates	4025914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 N O4 S
Calculated formula	C23 H27 N O4 S
Title of publication	Gold(I)-Catalyzed Intramolecular Tandem Addition/Friedel-Crafts Reactions between Acyclic Enamides and 1-Arylalkynes
Authors of publication	Jennifer A. Kozak; Brian O. Patrick; Gregory R. Dake
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	8585 - 8590
a	8.6256 ± 0.0004 Å
b	21.8854 ± 0.0011 Å
c	11.1823 ± 0.0005 Å
α	90°
β	103.52 ± 0.002°
γ	90°
Cell volume	2052.44 ± 0.17 Å³
Cell temperature	103 ± 0.1 K
Ambient diffraction temperature	103 ± 0.1 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	0.0599
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1119
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	Yes
Has F_obs	No

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