Information card for entry 7125248

Structure parameters

• Formula: C26 H36 F2 N2 O6 S2
• Calculated formula: C26 H36 F2 N2 O6 S2
• Title of publication: Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.
• Authors of publication: Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 91
• Pages of publication: 13353 - 13356
• a: 6.3281 ± 0.0004 Å
• b: 12.8693 ± 0.0009 Å
• c: 17.8671 ± 0.001 Å
• α: 105.544 ± 0.006°
• β: 93.657 ± 0.005°
• γ: 100.435 ± 0.005°
• Cell volume: 1368.94 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No