Information card for entry 2239512

Structure parameters

• Common name: 1,6-bis(p-tolyloxy)hexane
• Chemical name: 1,6-Bis(<i>p</i>-tolyloxy)hexane
• Formula: C20 H26 O2
• Calculated formula: C20 H26 O2
• SMILES: Cc1ccc(cc1)OCCCCCCOc1ccc(cc1)C
• Title of publication: 1,6-Bis(<i>p</i>-tolyloxy)hexane
• Authors of publication: Zhang, XiuQin; Xiao, Jian; Xue, Wei-Wei; Chen, Qiang; Wang, Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o617
• a: 18.932 ± 0.012 Å
• b: 7.327 ± 0.004 Å
• c: 6.352 ± 0.004 Å
• α: 90°
• β: 91 ± 0.013°
• γ: 90°
• Cell volume: 881 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1207
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.3164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes