Crystallography Open Database

Information card for entry 7104108

Preview

Coordinates	7104108.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	potassium naphthalenide tetrahydrofuran
Formula	C24 H24 K2 O
Calculated formula	C24 H24 K2 O
SMILES	c1cccc2ccccc12.C1CCCO1.c1c2ccccc2ccc1.[K+].[K+]
Title of publication	After 118 years, the isolation of two common radical anion reductants as simple, stable solids.
Authors of publication	Scott, Thomas A; Ooro, Betty A; Collins, David J; Shatruk, Michael; Yakovenko, Andrey; Dunbar, Kim R; Zhou, Hong-Cai
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal volume	34
Journal issue	1
Pages of publication	65 - 67
a	17.865 ± 0.003 Å
b	10.254 ± 0.0015 Å
c	11.5701 ± 0.0016 Å
α	90°
β	97.655 ± 0.004°
γ	90°
Cell volume	2100.6 ± 0.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0685
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
180144 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/41.	7104108.cif
129439	2015-01-07	cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ \| codid2file \ \| xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'\|\\?\|none)/_exptl_crystal_density_method ./i"	7104108.cif
106664	2014-03-15	cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly.	7104108.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7104108.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7104108.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7104108.cif
828	2009-10-12	cod/cif/ Depositing structures from the Acta-Cryst-C-2009_09/, Acta-Cryst-E-2009_09/ and Chem-Comm-2009_01-38/ data.	7104108.cif