Information card for entry 4349312

Structure parameters

• Formula: C8 H16 F4 O2 S
• Calculated formula: C8 H16 F4 O2 S
• SMILES: S(F)(F)(F)(F)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Characterization of Adducts between SF₄ and Oxygen Bases: Examples of O···S(IV) Chalcogen Bonding.
• Authors of publication: Goettel, James T.; Gerken, Michael
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12441 - 12450
• a: 11.307 ± 0.002 Å
• b: 13.664 ± 0.004 Å
• c: 17.149 ± 0.003 Å
• α: 107.28 ± 0.04°
• β: 98.74 ± 0.03°
• γ: 107.83 ± 0.03°
• Cell volume: 2320.8 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No