Information card for entry 7100918

Structure parameters

• Formula: C9 H4 Br F6 I O
• Calculated formula: C9 H4 Br F6 I O
• SMILES: I1(Br)OC(c2c1cccc2)(C(F)(F)F)C(F)(F)F
• Title of publication: Bromoiodinanes with an I(III)-Br bond: preparation, X-ray crystallography and reactivity as electrophilic brominating agents
• Authors of publication: C.Braddock; Gemma Cansell; Stephen Hermitage; Andrew J. P. White
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 9.663 ± 0.003 Å
• b: 14.7448 ± 0.0017 Å
• c: 16.435 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.6 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No