Crystallography Open Database

Information card for entry 7233292

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Coordinates	7233292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H6 N6
Calculated formula	C11 H6 N6
Title of publication	Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity
Authors of publication	Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	41
Pages of publication	23797
a	3.7497 ± 0.0005 Å
b	14.1534 ± 0.0017 Å
c	10.3386 ± 0.0013 Å
α	90°
β	97.855 ± 0.004°
γ	90°
Cell volume	543.53 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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