Crystallography Open Database

Information card for entry 7243531

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Coordinates	7243531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 F2 N3
Calculated formula	C18 H17 F2 N3
Title of publication	Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations
Authors of publication	Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	49
Pages of publication	30841 - 30848
a	5.4869 ± 0.0003 Å
b	10.1446 ± 0.0006 Å
c	14.6445 ± 0.0008 Å
α	101.552 ± 0.004°
β	93.625 ± 0.004°
γ	93.431 ± 0.004°
Cell volume	794.84 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1349
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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