Crystallography Open Database

Information card for entry 7151252

Preview

Coordinates	7151252.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	furan recepter
Formula	C24 H18 N6 O
Calculated formula	C24 H18 N6 O
SMILES	c12c(cccc1/C=N/Nc1ccccn1)c1c(o2)c(ccc1)/C=N/Nc1ccccn1
Title of publication	Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.
Authors of publication	Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	19
Pages of publication	3652 - 3663
a	13.111 ± 0.003 Å
b	10.123 ± 0.002 Å
c	14.928 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1981.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
180298 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/12.	7151252.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151252.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151252.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151252.cif