Crystallography Open Database

Information card for entry 7126452

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Coordinates	7126452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H5 N3 O5
Calculated formula	C14 H5 N3 O5
Title of publication	Nitroaromatics as n-type organic semiconductors for field effect transistors.
Authors of publication	Niazi, Muhammad Rizwan; Hamzehpoor, Ehsan; Ghamari, Pegah; Perepichka, Igor F.; Perepichka, Dmitrii F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	47
Pages of publication	6432 - 6435
a	5.0814 ± 0.0002 Å
b	6.9825 ± 0.0003 Å
c	17.0804 ± 0.0008 Å
α	90°
β	93.994 ± 0.002°
γ	90°
Cell volume	604.56 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253808 (current)	2020-07-06	cif/ Updating files of 7126452 Original log message: Adding full bibliography for 7126452.cif.	7126452.cif
251249	2020-04-29	cif/ Adding structures of 7126452 via cif-deposit CGI script.	7126452.cif