Information card for entry 2236221

Structure parameters

• Chemical name: 1,4-Dibromo-2,5-dibutoxybenzene
• Formula: C14 H20 Br2 O2
• Calculated formula: C14 H20 Br2 O2
• SMILES: CCCCOc1cc(Br)c(cc1Br)OCCCC
• Title of publication: 1,4-Dibromo-2,5-dibutoxybenzene
• Authors of publication: Teh, Chin Hoong; Mat Salleh, Muhammad; Mohamed Tahir, Mohamed Ibrahim; Daik, Rusli; Kassim, Mohammad B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2683
• a: 8.3685 ± 0.0004 Å
• b: 12.6395 ± 0.0005 Å
• c: 7.1083 ± 0.0003 Å
• α: 90°
• β: 96.461 ± 0.005°
• γ: 90°
• Cell volume: 747.1 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.034
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes