Information card for entry 2207219

Structure parameters

• Chemical name: p-Bromoiodobenzene
• Formula: C6 H4 Br I
• Calculated formula: C6 H4 Br I
• SMILES: Brc1ccc(cc1)I
• Title of publication: Template-directed growth of <i>p</i>-bromoiodobenzene
• Authors of publication: Hiremath, Rupa; Sarjeant, Amy A.; Swift, Jennifer A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3822 - o3824
• a: 4.112 ± 0.0006 Å
• b: 5.7936 ± 0.0008 Å
• c: 14.931 ± 0.002 Å
• α: 90°
• β: 97.301 ± 0.011°
• γ: 90°
• Cell volume: 352.82 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes