Crystallography Open Database

Information card for entry 1514850

Preview

Coordinates	1514850.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 N2 O6 S
Calculated formula	C19 H24 N2 O6 S
SMILES	S(=O)(=O)(N[C@@H]([C@H](Cc1c(OC)cc(OC)cc1)C)C(=O)OC)c1ncccc1
Title of publication	Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives
Authors of publication	Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	175
a	9.8306 ± 0.0005 Å
b	17.0929 ± 0.0008 Å
c	24.3215 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4086.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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/1514850.html