Information card for entry 4072933

Structure parameters

• Formula: C12 H22 I2 O2 Te
• Calculated formula: C12 H22 I2 O2 Te
• SMILES: C(C(=O)C(C)(C)C)[Te](CC(=O)C(C)(C)C)(I)I
• Title of publication: Room-Temperature Insertion of Elemental Tellurium into the Csp3−Br and −I Bonds of α-Bromo- and α-Iodopinacolone
• Authors of publication: Chauhan, Ashok K. S.; Singh, Puspendra; Kumar, Arun; Srivastava, Ramesh C.; Butcher, Ray J.; Duthie, Andrew
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1955
• a: 5.9353 ± 0.0008 Å
• b: 18.965 ± 0.002 Å
• c: 16.687 ± 0.004 Å
• α: 90°
• β: 90.643 ± 0.018°
• γ: 90°
• Cell volume: 1878.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2085
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No