Crystallography Open Database

Information card for entry 2022516

2022515 << 2022516 >> 2022517

Preview

Coordinates	2022516.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(2,6-diisopropylphenyl) tellurone
Formula	C24 H34 O2 Te
Calculated formula	C24 H34 O2 Te
SMILES	c1(c(cccc1C(C)C)C(C)C)[Te](=O)(c1c(cccc1C(C)C)C(C)C)=O
Title of publication	Bis(2,6-diisopropylphenyl) tellurone: a well-defined monomeric diorganotellurone without cocrystallized solvents and without stabilizing intramolecular contacts
Authors of publication	Shibuya, Yuga; Koguchi, Shinichi; Oba, Makoto
Journal of publication	Acta Crystallographica Section C
Year of publication	2022
Journal volume	78
Journal issue	2
a	9.3633 ± 0.0003 Å
b	14.2339 ± 0.0005 Å
c	17.7479 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2365.37 ± 0.13 Å³
Cell temperature	108 K
Ambient diffraction temperature	108 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.0548
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272123 (current)	2022-01-19	cif/ hkl/ Adding structures of 2022516 via cif-deposit CGI script.	2022516.cif