Crystallography Open Database

Information card for entry 7057839

Preview

Coordinates	7057839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N4
Calculated formula	C16 H14 N4
Title of publication	Click 1,2,3-triazole derived fluorescent scaffold by mesoionic carbene‒nitrene cyclization: an experimental and theoretical study
Authors of publication	Bouchemella, Khadidja; Fauché, Kévin; Anak, Barkahem; Jouffret, Laurent; Bencharif, Mustapha; Cisnetti, Federico
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	23
Pages of publication	18969
a	16.3021 ± 0.0012 Å
b	8.0165 ± 0.0006 Å
c	20.5586 ± 0.0014 Å
α	90°
β	103.284 ± 0.004°
γ	90°
Cell volume	2614.8 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1235
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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