Information card for entry 1514315

Structure parameters

• Common name: none
• Formula: C30 H31 Cl4 F N3 O2 S Sb
• Calculated formula: C30 H31 Cl4 F N3 O2 S Sb
• SMILES: [Sb]12(F)(Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3O1)(c1ccccc1)c1ccccc1c1ccccc21.S(=[N+](C)C)(N(C)C)N(C)C
• Title of publication: Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations
• Authors of publication: Hirai, Masato; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1886
• a: 10.0011 ± 0.0008 Å
• b: 21.4018 ± 0.0018 Å
• c: 16.9437 ± 0.0011 Å
• α: 90°
• β: 122.404 ± 0.003°
• γ: 90°
• Cell volume: 3062 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• 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: 0.08
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.189
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No