Crystallography Open Database

Information card for entry 4077637

Preview

Coordinates	4077637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 Li O2
Calculated formula	C34 H33 Li O2
SMILES	[Li]([O]1CCCC1)([O]1CCCC1)c1c(cccc1c1cccc2ccccc12)c1cccc2ccccc12
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	7.7747 ± 0.0007 Å
b	20.33 ± 0.002 Å
c	16.8532 ± 0.0017 Å
α	90°
β	97.085 ± 0.002°
γ	90°
Cell volume	2643.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0953
Weighted residual factors for significantly intense reflections	0.2114
Weighted residual factors for all reflections included in the refinement	0.2307
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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.	4077637.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077637.cif
54651	2012-04-28	cif/ Adding structures of 4077636, 4077637 via cif-deposit CGI script.	4077637.cif