Crystallography Open Database

Information card for entry 1547463

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Structure parameters

Formula	C24 H17 F3 N2 O2
Calculated formula	C24 H17 F3 N2 O2
Title of publication	5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes
Authors of publication	Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A.
Journal of publication	Catal. Sci. Technol.
Year of publication	2017
a	9.8771 ± 0.001 Å
b	10.6875 ± 0.001 Å
c	36.521 ± 0.004 Å
α	90°
β	96.428 ± 0.003°
γ	90°
Cell volume	3831 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2226
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1547463.cif
201485	2017-09-29	cif/ Adding structures of 1547457, 1547458, 1547459, 1547460, 1547461, 1547462, 1547463, 1547464, 1547465, 1547466 via cif-deposit CGI script.	1547463.cif