Crystallography Open Database

Information card for entry 7064212

Preview

Coordinates	7064212.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,1-tri-bromo-3-methyl-5-phenyl-1,2-tellurazole-2-anol
Formula	C14 H22 Br4 N2 O Te
Calculated formula	C14 H22 Br4 N2 O Te
Title of publication	From Fluorine Chemistry to Noncovalent Interactions: Celebrating Prof. Giuseppe Resnati
Authors of publication	MacDougall, Phillip; Zeng, Mich Wenshi; Wang, Jin; Ho, Peter Cheng-Wei; Vargas-Baca, Ignacio
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	14.9143 ± 0.0006 Å
b	26.7884 ± 0.001 Å
c	16.15 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6452.4 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0846
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7064212.html