Information card for entry 7120984

Structure parameters

• Formula: C38 H30 B F13 O4 S Te
• Calculated formula: C38 H30 B F13 O4 S Te
• SMILES: [Te]1C(=C(c2c(F)c(F)c(F)c(F)c2F)[B](OS(=O)(=O)C(F)(F)F)([O]2CCCC2)C(=C1c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.CCCCC
• Title of publication: Synthesis and reactions of 4H-1,4-telluraborine.
• Authors of publication: Tsao, Fu An; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 208 - 211
• a: 12.199 ± 0.0017 Å
• b: 13.1459 ± 0.0016 Å
• c: 13.2577 ± 0.0018 Å
• α: 70.801 ± 0.006°
• β: 79.133 ± 0.006°
• γ: 76.956 ± 0.006°
• Cell volume: 1940.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No