Information card for entry 2230401

Structure parameters

• Chemical name: 1,4-Bis[2-(prop-1-enyl)phenoxy]butane
• Formula: C22 H26 O2
• Calculated formula: C22 H26 O2
• SMILES: C/C=C/c1ccccc1OCCCCOc1ccccc1/C=C/C
• Title of publication: 1,4-Bis[2-(prop-1-enyl)phenoxy]butane
• Authors of publication: Bayramov, Musa R.; Maharramov, Abel M.; Mehdiyeva, Gunay M.; Hoseinzadeh, Shahnaz B.; Askerov, Rizvan K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: o1478
• a: 5.4501 ± 0.001 Å
• b: 15.825 ± 0.003 Å
• c: 21.889 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1887.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes