Crystallography Open Database

Information card for entry 1542605

Preview

Coordinates	1542605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl4 F6 Rh2
Calculated formula	C20 H24 Cl4 F6 Rh2
SMILES	[Rh]12345(Cl)([Cl][Rh]6789([Cl]1)(Cl)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C(F)(F)F)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C(F)(F)F
Title of publication	Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives
Authors of publication	Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	6
Pages of publication	3780
a	28.1638 ± 0.0009 Å
b	28.1638 ± 0.0009 Å
c	8.1635 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	5607.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	0.611
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
185145 (current)	2016-08-07	cif/ Updating files of 1542604, 1542605, 1542606, 1542607, 1542608, 1542609, 1542610, 1542611, 1542612, 1542613, 1542614, 1542615 Original log message: Adding full bibliography for 1542604--1542615.cif.	1542605.cif
177162	2016-03-03	cif/ Adding structures of 1542604, 1542605, 1542606, 1542607, 1542608, 1542609, 1542610, 1542611, 1542612, 1542613, 1542614, 1542615 via cif-deposit CGI script.	1542605.cif