Crystallography Open Database

Information card for entry 1504824

Preview

Structure parameters

Formula	C24 H22 O3
Calculated formula	C24 H22 O3
SMILES	c1(c(c2cc(c(cc2o1)C)C)c1ccc(cc1)OC)c1ccc(cc1)OC
Title of publication	Synthesis, electronic properties, and X-ray structural characterization of tetrarylbenzo[1,2-b:4,5-b']difuran cation radicals.
Authors of publication	Shukla, Ruchi; Wadumethrige, Shriya H.; Lindeman, Sergey V.; Rathore, Rajendra
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	16
Pages of publication	3587 - 3590
a	17.6 ± 0.005 Å
b	6.1125 ± 0.0016 Å
c	17.536 ± 0.005 Å
α	90°
β	99.252 ± 0.004°
γ	90°
Cell volume	1862 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.09
Residual factor for significantly intense reflections	0.0744
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2213
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1504824.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504824.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504824.cif
42396	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504824 via cif-deposit CGI script.	1504824.cif