Crystallography Open Database

Information card for entry 7064214

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Coordinates	7064214.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	C10 H10 Br3 N O Te
Calculated formula	C10 H10 Br3 N 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	9.158 ± 0.0008 Å
b	11.0228 ± 0.0009 Å
c	14.2654 ± 0.0012 Å
α	90°
β	98.511 ± 0.003°
γ	90°
Cell volume	1424.2 ± 0.2 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0373
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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