Crystallography Open Database

Information card for entry 1558511

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Structure parameters

Formula	C19 H25 B F4 Te
Calculated formula	C19 H25 B F4 Te
Title of publication	Redox-controlled chalcogen-bonding at tellurium: Impact on Lewis acidity and chloride anion transport properties
Authors of publication	Zhou, Benyu; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2020
a	11.7351 ± 0.0011 Å
b	15.9629 ± 0.0019 Å
c	21.44 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4016.3 ± 0.8 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.168
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1558511.cif
254042	2020-07-07	cif/ Adding structures of 1558511, 1558512, 1558513 via cif-deposit CGI script.	1558511.cif