Crystallography Open Database

Information card for entry 4067238

Preview

Coordinates	4067238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 Na O3
Calculated formula	C36 H42 Na O3
SMILES	c1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Alkali Metal-Stabilized 1,3,5-Triphenylbenzene Monoanions: Synthesis and Characterization of the Lithium, Sodium, and Potassium Complexes†
Authors of publication	Krieck, Sven; Görls, Helmar; Westerhausen, Matthias
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	24
Pages of publication	6790
a	7.7567 ± 0.0004 Å
b	18.6392 ± 0.0007 Å
c	10.7397 ± 0.0005 Å
α	90°
β	100.621 ± 0.002°
γ	90°
Cell volume	1526.13 ± 0.12 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178563 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/72.	4067238.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067238.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067238.cif
34128	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067237, 4067238, 4067239 via cif-deposit CGI script.	4067238.cif