Crystallography Open Database

Information card for entry 1504818

Preview

Coordinates	1504818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 O3
Calculated formula	C34 H42 O3
SMILES	o1c(c(c2cc(c(cc12)C)C)c1ccc(OCCCCCC)cc1)c1ccc(OCCCCCC)cc1
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	8.8124 ± 0.0002 Å
b	9.1581 ± 0.0002 Å
c	18.5645 ± 0.0005 Å
α	98.402 ± 0.002°
β	103.073 ± 0.002°
γ	96.722 ± 0.002°
Cell volume	1426.13 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	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.	1504818.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504818.cif
42390	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504818 via cif-deposit CGI script.	1504818.cif