Crystallography Open Database

Information card for entry 7064217

Preview

Coordinates	7064217.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	C12 H16 Br3.5 N1.5 O Te
Calculated formula	C12 H16 Br3.5 N1.5 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	9.062 ± 0.003 Å
b	12.768 ± 0.007 Å
c	15.657 ± 0.01 Å
α	90°
β	98.57 ± 0.03°
γ	90°
Cell volume	1791.3 ± 1.6 Å³
Cell temperature	119 K
Ambient diffraction temperature	119 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	0.855
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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