Information card for entry 7121966

Structure parameters

• Formula: C17 H15 Br Cl F4 I O2
• Calculated formula: C17 H15 Br Cl F4 I O2
• 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: 11.3548 ± 0.0001 Å
• b: 8.0586 ± 0.0001 Å
• c: 21.0488 ± 0.0002 Å
• α: 90°
• β: 95.611 ± 0.001°
• γ: 90°
• Cell volume: 1916.82 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No