Information card for entry 2227462

Structure parameters

• Chemical name: 2,3-Dibromo-1-[4-(2,3-dibromo-4,5-dimethoxybenzyl)-2,5-dimethoxybenzyl]- 4,5-dimethoxybenzene
• Formula: C26 H26 Br4 O6
• Calculated formula: C26 H26 Br4 O6
• SMILES: COc1cc(Cc2cc(OC)c(c(c2Br)Br)OC)c(cc1Cc1cc(OC)c(c(c1Br)Br)OC)OC
• Title of publication: 2,3-Dibromo-1-[4-(2,3-dibromo-4,5-dimethoxybenzyl)-2,5-dimethoxybenzyl]-4,5-dimethoxybenzene
• Authors of publication: Şahin, Ertan; Balaydın, Halis T.; Göksu, Süleyman; Menzek, Abdullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3029
• a: 11.193 ± 0.005 Å
• b: 9.645 ± 0.004 Å
• c: 13.212 ± 0.005 Å
• α: 90°
• β: 107.125 ± 0.005°
• γ: 90°
• Cell volume: 1363.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes