Crystallography Open Database

Information card for entry 4024869

Preview

Coordinates	4024869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H23.5 Cl1.5 F3 O3
Calculated formula	C22.5 H23.5 Cl1.5 F3 O3
Title of publication	Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure
Authors of publication	Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	7176 - 7179
a	9.1983 ± 0.0001 Å
b	9.1983 ± 0.0001 Å
c	51.2454 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4335.81 ± 0.11 Å³
Cell temperature	150 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.046
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4024869.html