Information card for entry 7104205

Structure parameters

• Formula: C9 H10 Br Cl
• Calculated formula: C9 H10 Br Cl
• Title of publication: The generation and trapping of enantiopure bromonium ions.
• Authors of publication: Braddock, D Christopher; Hermitage, Stephen A; Kwok, Lilian; Pouwer, Rebecca; Redmond, Joanna M; White, Andrew J P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1082 - 1084
• a: 18.7196 ± 0.0005 Å
• b: 5.4883 ± 0.0001 Å
• c: 19.2225 ± 0.0005 Å
• α: 90°
• β: 104.159 ± 0.003°
• γ: 90°
• Cell volume: 1914.9 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No