Crystallography Open Database

Information card for entry 1503860

Preview

Coordinates	1503860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H16 F4 O2
Calculated formula	C34 H16 F4 O2
Title of publication	Synthesis, crystal structure, and physical properties of 7,14-disubstituted pentacene-5,12-diones containing a methylenequinoid structure.
Authors of publication	Nishida, Jun-Ichi; Fujiwara, Yujiro; Yamashita, Yoshiro
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1813 - 1816
a	9.0917 ± 0.0008 Å
b	9.3121 ± 0.0007 Å
c	14.1154 ± 0.0012 Å
α	84.228 ± 0.002°
β	84.713 ± 0.003°
γ	82.675 ± 0.003°
Cell volume	1175.47 ± 0.17 Å³
Cell temperature	93.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1503860.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503860.cif
39149	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503860, 1503861 via cif-deposit CGI script.	1503860.cif