Crystallography Open Database

Information card for entry 1515156

Preview

Coordinates	1515156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 O6
Calculated formula	C24 H14 O6
SMILES	o1cc(c(c1)c1cocc1c1cocc1)c1cocc1c1cocc1c1cocc1
Title of publication	β-Oligofurans
Authors of publication	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	2133
a	5.9382 ± 0.0003 Å
b	22.9614 ± 0.0017 Å
c	6.718 ± 0.0004 Å
α	90°
β	91.539 ± 0.005°
γ	90°
Cell volume	915.66 ± 0.1 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.098
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for all reflections	0.1468
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
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.	1515156.cif
110884	2014-04-20	cif/ Adding structures of 1515149, 1515150, 1515151, 1515152, 1515153, 1515154, 1515155, 1515156, 1515157, 1515158, 1515159, 1515160 via cif-deposit CGI script.	1515156.cif