Information card for entry 1508139

Structure parameters

• Common name: None
• Formula: C36 H36 B F3 O3 S2
• Calculated formula: C36 H36 B F3 O3 S2
• SMILES: [S+](c1cccc2cccc(c12)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1ccccc1)C.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: A bidentate Lewis acid with a telluronium ion as an anion-binding site.
• Authors of publication: Zhao, Haiyan; Gabbaï, François P
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 984 - 990
• a: 8.632 ± 0.005 Å
• b: 10.482 ± 0.006 Å
• c: 18.755 ± 0.01 Å
• α: 90.939 ± 0.007°
• β: 102.507 ± 0.006°
• γ: 100.441 ± 0.006°
• Cell volume: 1626.5 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No