Information card for entry 1544965

Structure parameters

• Formula: C8 H12 Cl7 F6 S2 Sb
• Calculated formula: C8 H12 Cl7 F6 S2 Sb
• SMILES: [Sb](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].[S+](SCCC(F)(F)F)(CCCl)CCC(F)(F)F
• Title of publication: Alkyldisulfanium Salts: Isolable, Electrophilic Sulfur Reagents Competent for Polyene Cyclizations.
• Authors of publication: Schevenels, Florian T.; Shen, Minxing; Snyder, Scott A.
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 2 - 5
• a: 17.3672 ± 0.0009 Å
• b: 12.098 ± 0.0006 Å
• c: 10.2133 ± 0.0006 Å
• α: 90°
• β: 97.836 ± 0.003°
• γ: 90°
• Cell volume: 2125.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No