Information card for entry 2236171

Structure parameters

• Chemical name: (<i>E</i>)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)
• Formula: C30 H24 O4
• Calculated formula: C30 H24 O4
• SMILES: O=C(c1ccccc1)c1ccc(cc1)OC/C=C/COc1ccc(cc1)C(=O)c1ccccc1
• Title of publication: (<i>E</i>)-{[But-2-ene-1,4-diylbis(oxy)]bis(4,1-phenylene)}bis(phenylmethanone)
• Authors of publication: Öztürk Yildirim, Sema; Butcher, Ray J.; Köysal, Yavuz; Birinci, Emrah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2633
• a: 24.913 ± 0.001 Å
• b: 7.2586 ± 0.0003 Å
• c: 6.1359 ± 0.0002 Å
• α: 90°
• β: 95.012 ± 0.004°
• γ: 90°
• Cell volume: 1105.33 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes