Crystallography Open Database

Information card for entry 7232584

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Coordinates	7232584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H13 Br2 F2 N3 O2
Calculated formula	C16 H13 Br2 F2 N3 O2
Title of publication	Fluorination and chlorination effects on quinoxalineimides as an electron-deficient building block for n-channel organic semiconductors
Authors of publication	Hasegawa, Tsukasa; Ashizawa, Minoru; Kawauchi, Susumu; Masunaga, Hiroyasu; Ohta, Noboru; Matsumoto, Hidetoshi
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	19
Pages of publication	10807
a	13.5124 ± 0.0003 Å
b	16.6954 ± 0.0003 Å
c	7.74975 ± 0.00014 Å
α	90°
β	106.569 ± 0.001°
γ	90°
Cell volume	1675.71 ± 0.06 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
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	0.0535
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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