Information card for entry 2219707

Structure parameters

• Chemical name: 1,4-Dibromo-2,5-bis(hexyloxy)benzene
• Formula: C18 H28 Br2 O2
• Calculated formula: C18 H28 Br2 O2
• SMILES: CCCCCCOc1cc(Br)c(cc1Br)OCCCCCC
• Title of publication: 1,4-Dibromo-2,5-bis(hexyloxy)benzene
• Authors of publication: Li, Ying-Fei; Xu, Chen; Cen, Fei-Fei; Wang, Zhi-Qiang; Zhang, Yu-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1930
• a: 6.9638 ± 0.0012 Å
• b: 8.2581 ± 0.0014 Å
• c: 9.7321 ± 0.0017 Å
• α: 107.012 ± 0.002°
• β: 106.981 ± 0.002°
• γ: 99.193 ± 0.002°
• Cell volume: 493.11 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes