Information card for entry 7130678

Structure parameters

• Formula: C18 H21 F3 N O3 S Sb
• Calculated formula: C18 H21 F3 N O3 S Sb
• SMILES: c12c(cccc1)[N](C)(C)[Sb]2(c1c(cc(cc1C)C)C)OS(=O)(=O)C(F)(F)F
• Title of publication: Crystallographic evidence for a continuum and reversal of roles in primary-secondary interactions in antimony Lewis acids: applications in carbonyl activation.
• Authors of publication: Sharma, Deepti; Benny, Annabel; Gupta, Radhika; Jemmis, Eluvathingal D.; Venugopal, Ajay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 78
• Pages of publication: 11009 - 11012
• a: 8.401 ± 0.005 Å
• b: 9.453 ± 0.006 Å
• c: 25.467 ± 0.016 Å
• α: 90°
• β: 96.737 ± 0.013°
• γ: 90°
• Cell volume: 2008 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No