Crystallography Open Database

Information card for entry 4000977

Preview

Coordinates	4000977.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3, 9-diphenyl-6, 12-dioxaanthanthrene
Formula	C32 H18 O2
Calculated formula	C32 H18 O2
SMILES	c1ccc(cc1)c1ccc2c3c1ccc1c3c3c(o2)ccc2c3c(o1)ccc2c1ccccc1
Title of publication	Stableperi-Xanthenoxanthene Thin-Film Transistors with Efficient Carrier Injection
Authors of publication	Kobayashi, Norihito; Sasaki, Mari; Nomoto, Kazumasa
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	3
Pages of publication	552
a	15.92 ± 0.002 Å
b	18.508 ± 0.003 Å
c	6.9299 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2041.9 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1448
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1431
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000977.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000977.cif
38859	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000977 via cif-deposit CGI script.	4000977.cif