Crystallography Open Database

Information card for entry 1504561

Preview

Coordinates	1504561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 N O
Calculated formula	C24 H15 N O
SMILES	c1cccc2oc3cc4c5ccccc5n(c4cc3c12)c1ccccc1
Title of publication	Synthesis, structures, and properties of unsymmetrical heteroacenes containing both pyrrole and furan rings.
Authors of publication	Kawaguchi, Keiko; Nakano, Koji; Nozaki, Kyoko
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	6
Pages of publication	1199 - 1202
a	15.729 ± 0.007 Å
b	7.122 ± 0.003 Å
c	28.174 ± 0.012 Å
α	90 ± 0.003°
β	91.872 ± 0.003°
γ	90 ± 0.003°
Cell volume	3154 ± 2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.064
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.182
Diffraction radiation wavelength	0.7107 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.	1504561.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504561.cif
42174	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504561 via cif-deposit CGI script.	1504561.cif