Crystallography Open Database

Information card for entry 4075830

Preview

Coordinates	4075830.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4,6-Dilithiodibenzofuran-1.5(tmeda)
Formula	C42 H60 Li4 N6 O2
Calculated formula	C42 H60 Li4 N6 O2
Title of publication	Synthesis, Structure, and Cyclic Voltammetry of 4,6-Bis(dimesitylboryl)dibenzofuran: Isolation of 4,6-Dilithiobenzofuran and 4,5-Dilithio-9,9-dimethylxanthene as tmeda Adducts
Authors of publication	Wang, Huadong; Gabbaï, François P.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2898
a	12.644 ± 0.002 Å
b	14.45 ± 0.003 Å
c	13.141 ± 0.003 Å
α	90°
β	118.007 ± 0.003°
γ	90°
Cell volume	2119.8 ± 0.7 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.138
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.1611
Weighted residual factors for all reflections included in the refinement	0.1876
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075830.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075830.cif
50690	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075830 via cif-deposit CGI script.	4075830.cif