Information card for entry 2311172

Structure parameters

• Chemical name: 2,2'-[Ethane-1,2-diylbis(oxy)]dibenzaldehyde
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O(CCOc1c(cccc1)C=O)c1c(cccc1)C=O
• Title of publication: 2,2'-[Ethane-1,2-diylbis(-oxy)]dibenz-alde-hyde.
• Authors of publication: Akkurt, Mehmet; Mohamed, Shaaban K.; Horton, Peter N.; Abdel-Raheem, Eman M M; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1260
• a: 7.7571 ± 0.0001 Å
• b: 8.3277 ± 0.0001 Å
• c: 11.2965 ± 0.0001 Å
• α: 82.283 ± 0.007°
• β: 75.839 ± 0.007°
• γ: 66.823 ± 0.006°
• Cell volume: 649.87 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No