Crystallography Open Database

Information card for entry 7237776

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Coordinates	7237776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N4 S
Calculated formula	C26 H22 N4 S
Title of publication	Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs
Authors of publication	Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	22
Pages of publication	6706
a	7.6706 ± 0.0005 Å
b	13.0303 ± 0.0009 Å
c	21.6554 ± 0.0011 Å
α	90°
β	95.183 ± 0.005°
γ	90°
Cell volume	2155.6 ± 0.2 Å³
Cell temperature	150.1 K
Ambient diffraction temperature	150.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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