Crystallography Open Database

Information card for entry 1504716

Preview

Coordinates	1504716.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H4 F3 N O
Calculated formula	C10 H4 F3 N O
Title of publication	Trifluoromethyltriphenodioxazine: air-stable and high-performance n-type semiconductor.
Authors of publication	Di, Chong-an; Li, Jing; Yu, Gui; Xiao, Yi; Guo, Yunlong; Liu, Yunqi; Qian, Xuhong; Zhu, Daoben
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	14
Pages of publication	3025 - 3028
a	4.833 ± 0.001 Å
b	5.948 ± 0.0012 Å
c	14.956 ± 0.003 Å
α	86.41 ± 0.03°
β	86.07 ± 0.03°
γ	77.26 ± 0.03°
Cell volume	417.87 ± 0.16 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1724
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.2427
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1504716.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504716.cif
42310	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504716 via cif-deposit CGI script.	1504716.cif