Crystallography Open Database

Information card for entry 1520715

1520714 << 1520715 >> 1520716

Preview

Coordinates	1520715.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	racemic L1
Formula	C28 H28 N2 O4 S4
Calculated formula	C28 H28 N2 O4 S4
Title of publication	Palladium-catalyzed direct β-arylation of ketones with diaryliodonium salts: a stoichiometric heavy metal-free and user-friendly approach
Authors of publication	Huang, Zhongxing; Sam, Quynh P.; Dong, Guangbin
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5491
a	15.181 ± 0.006 Å
b	15.559 ± 0.005 Å
c	23.696 ± 0.007 Å
α	90°
β	105.016 ± 0.018°
γ	90°
Cell volume	5406 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
170948 (current)	2015-12-09	cif/ Updating files of 1520713, 1520714, 1520715 Original log message: Adding full bibliography for 1520713--1520715.cif.	1520715.cif
139833	2015-07-01	cif/ Adding structures of 1520713, 1520714, 1520715 via cif-deposit CGI script.	1520715.cif