Information card for entry 7156188

Structure parameters

• Formula: C14 H16 F5 N O2 S
• Calculated formula: C14 H16 F5 N O2 S
• Title of publication: The control of stereochemistry by the pentafluorosulfanyl group.
• Authors of publication: Savoie, Paul R.; von Hahmann, Cortney N.; Penger, Alexander; Wei, Zheng; Welch, John T.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3151 - 3159
• a: 13.9735 ± 0.0008 Å
• b: 11.3828 ± 0.0006 Å
• c: 10.4133 ± 0.0006 Å
• α: 90°
• β: 109.645 ± 0.001°
• γ: 90°
• Cell volume: 1559.91 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No