Crystallography Open Database

Information card for entry 4106125

Preview

Coordinates	4106125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Rb
Calculated formula	C18 H15 Rb
Title of publication	Rubidium-Mediated Birch-Type Reduction of 1,2-Diphenylbenzene in Tetrahydrofuran
Authors of publication	Sven Krieck; Robert Kretschmer; Helmar Görls; Matthias Westerhausen
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6960 - 6963
a	21.1577 ± 0.0003 Å
b	21.1577 ± 0.0003 Å
c	17.4764 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	6775.16 ± 0.16 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
178807 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/61.	4106125.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106125.cif
52915	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106125 via cif-deposit CGI script.	4106125.cif