Crystallography Open Database

Information card for entry 7064211

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Coordinates	7064211.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-bromo-3-methyl-5-phenyl-1-2-tellurazole-2-anol
Formula	C24 H29 Br2 N3 O Te
Calculated formula	C24 H28 Br2 N3 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	13.734 ± 0.006 Å
b	9.677 ± 0.004 Å
c	19.852 ± 0.008 Å
α	90°
β	107.56 ± 0.012°
γ	90°
Cell volume	2515.5 ± 1.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1469
Residual factor for significantly intense reflections	0.0911
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2784
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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