Information card for entry 7113046

Structure parameters

• Formula: C20 H16 Br I O2
• Calculated formula: C20 H13 Br I O2
• Title of publication: Interchromophore orientation scaffolding by m-terphenyl oxacyclophanes.
• Authors of publication: Mangalum, Anshuman; Morgan, Brad P.; Hanley, Jessica M.; Jecen, Kristine M.; McGill, Charles J.; Robertson, Grant A.; Smith, Rhett C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5136 - 5138
• a: 21.861 ± 0.003 Å
• b: 21.861 ± 0.003 Å
• c: 16.153 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7720 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No