Information card for entry 2022516

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 ų
• 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 Fobs: No