Information card for entry 2206805

Structure parameters

• Chemical name: 1,5-Dibromo-2,4-bis[(2-bromophenyl)ethynyl]benzene
• Formula: C22 H10 Br4
• Calculated formula: C22 H10 Br4
• SMILES: Brc1ccccc1C#Cc1c(Br)cc(Br)c(c1)C#Cc1c(Br)cccc1
• Title of publication: 1,5-Dibromo-2,4-bis[(2-bromophenyl)ethynyl]benzene
• Authors of publication: Westmoreland, Ian; Miyagi, Lowell; Que, Emily L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2894 - o2895
• a: 10.058 ± 0.0007 Å
• b: 8.8663 ± 0.0006 Å
• c: 21.87 ± 0.002 Å
• α: 90°
• β: 96.481 ± 0.001°
• γ: 90°
• Cell volume: 1937.8 ± 0.3 ų
• Cell temperature: 158 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes