Crystallography Open Database

Information card for entry 4123940

Preview

Coordinates	4123940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cl4 F6 Rh2
Calculated formula	C20 H24 Cl4 F6 Rh2
SMILES	[c]12([c]3([c]4([c]5([c]1([Rh]12345([Cl][Rh]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C(F)(F)F)([Cl]1)Cl)Cl)C)C)C)C)C(F)(F)F
Title of publication	Expedient Access to 2,3-Dihydropyridines from Unsaturated Oximes by Rh(III)-Catalyzed C-H Activation.
Authors of publication	Romanov-Michailidis, Fedor; Sedillo, Kassandra F.; Neely, Jamie M.; Rovis, Tomislav
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	28
Pages of publication	8892 - 8895
a	28.244 ± 0.003 Å
b	28.244 ± 0.003 Å
c	8.1899 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	5658 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
152855 (current)	2015-08-05	cif/ Updating files of 4123939, 4123940 Original log message: Adding full bibliography for 4123939--4123940.cif.	4123940.cif
141432	2015-07-09	cif/ Adding structures of 4123940 via cif-deposit CGI script.	4123940.cif