Information card for entry 4072936

Structure parameters

• Formula: C16 H18 I2 O Te
• Calculated formula: C16 H18 I2 O Te
• SMILES: C(C(=O)C(C)(C)C)[Te](c1cccc2ccccc12)(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: 9.3437 ± 0.0018 Å
• b: 18.924 ± 0.004 Å
• c: 20.531 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3630.3 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No