Information card for entry 2232897

Structure parameters

• Chemical name: 1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(4,1-phenylene)}diethanone
• Formula: C24 H22 O4
• Calculated formula: C24 H22 O4
• SMILES: CC(=O)c1ccc(cc1)OCc1ccc(cc1)COc1ccc(cc1)C(=O)C
• Title of publication: 1,1'-{[1,4-Phenylenebis(methylene)]bis(oxy)bis(4,1-phenylene)}diethanone
• Authors of publication: Al-Mohammed, Nassir N.; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3164
• a: 8.1286 ± 0.0012 Å
• b: 8.161 ± 0.0007 Å
• c: 8.4878 ± 0.0006 Å
• α: 116.164 ± 0.005°
• β: 106.328 ± 0.007°
• γ: 100.196 ± 0.007°
• Cell volume: 454.41 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes