Information card for entry 4072937

Structure parameters

• Formula: C15 H22 Br2 O Te
• Calculated formula: C15 H22 Br2 O Te
• SMILES: C(C(=O)C(C)(C)C)[Te](c1c(cc(cc1C)C)C)(Br)Br
• 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: 8.683 ± 0.002 Å
• b: 9.604 ± 0.002 Å
• c: 11.03 ± 0.002 Å
• α: 72.785 ± 0.003°
• β: 81.713 ± 0.006°
• γ: 85.755 ± 0.006°
• Cell volume: 868.9 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1499
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No