Crystallography Open Database

Information card for entry 4077636

Preview

Coordinates	4077636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 Li2 O
Calculated formula	C40 H34 Li2 O
SMILES	[c]12(c(cccc1c1ccccc1)c1ccccc1)[Li]([O]1CCCC1)[c]1(c(cccc1c1ccccc1)c1ccccc1)[Li]2
Title of publication	Synthesis and X-ray Crystal Structure Determination of Tetrahydrofuran Adducts of Two Terphenyllithium Compounds†
Authors of publication	Rabe, Gerd W.; Sommer, Roger D.; Rheingold, Arnold L.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	25
Pages of publication	5537
a	12.3391 ± 0.001 Å
b	15.5925 ± 0.0013 Å
c	16.5319 ± 0.0014 Å
α	90°
β	101.176 ± 0.002°
γ	90°
Cell volume	3120.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1324
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178665 (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 4/07/76.	4077636.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077636.cif
54651	2012-04-28	cif/ Adding structures of 4077636, 4077637 via cif-deposit CGI script.	4077636.cif