Information card for entry 2238715

Structure parameters

• Chemical name: 1,4-Bis(hexyloxy)benzene
• Formula: C18 H30 O2
• Calculated formula: C18 H30 O2
• SMILES: CCCCCCOc1ccc(cc1)OCCCCCC
• Title of publication: 1,4-Bis(hexyloxy)benzene
• Authors of publication: Cheng, Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1721
• a: 18.853 ± 0.012 Å
• b: 7.512 ± 0.005 Å
• c: 6.364 ± 0.004 Å
• α: 90°
• β: 95.674 ± 0.01°
• γ: 90°
• Cell volume: 896.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1327
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No