Information card for entry 7121965

Structure parameters

• Formula: C15 H11 Br F5 I O
• Calculated formula: C15 H11 Br F5 I O
• Title of publication: Unexpected reactivity of cyclic perfluorinated iodanes with electrophiles.
• Authors of publication: Gruber, Stefan; Ametamey, Simon M.; Schibli, Roger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 65
• Pages of publication: 8999 - 9002
• a: 38.2117 ± 0.0007 Å
• b: 18.5754 ± 0.0005 Å
• c: 9.3073 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6606.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No