Information card for entry 4025309

Structure parameters

• Chemical name: 5-Thiatellurocane 5-Oxytris(pentafluorophenyl)boron
• Formula: C24 H12 B F15 O S Te
• Calculated formula: C24 H12 B F15 O S Te
• SMILES: [Te]1(CCCSCCC1)=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Electrochemical and Chemical Oxidation of Dithia-, Diselena-, Ditellura-, Selenathia-, and Tellurathiamesocycles and Stability of the Oxidized Species
• Authors of publication: Dennis H. Evans; Nadine E. Gruhn; Jin Jin; Bo Li; Edward Lorance; Noriko Okumura; Norma A. Macías-Ruvalcaba; Uzma I. Zakai; Shao-Zhong Zhang; Eric Block; Richard S. Glass
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1997 - 2009
• a: 12.5426 ± 0.0006 Å
• b: 20.8109 ± 0.0009 Å
• c: 9.6271 ± 0.0004 Å
• α: 90°
• β: 95.71 ± 0.001°
• γ: 90°
• Cell volume: 2500.42 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No