Information card for entry 7121967

Structure parameters

• Formula: C15 H9 Br Cl F4 I O3
• Calculated formula: C15 H9 Br Cl F4 I O3
• 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: 7.9867 ± 0.0002 Å
• b: 8.2391 ± 0.0002 Å
• c: 13.6897 ± 0.0002 Å
• α: 74.798 ± 0.002°
• β: 84.253 ± 0.002°
• γ: 86.584 ± 0.002°
• Cell volume: 864.41 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0775
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No