Information card for entry 2209374

Structure parameters

• Chemical name: 4,4'-Oxydibenzaldehyde
• Formula: C14 H10 O3
• Calculated formula: C14 H10 O3
• SMILES: O=Cc1ccc(cc1)Oc1ccc(cc1)C=O
• Title of publication: 4,4'-Oxydibenzaldehyde
• Authors of publication: Xu, Wen-qing; Gao, Wen-yuan; Mei Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2710 - o2711
• a: 12.662 ± 0.004 Å
• b: 7.181 ± 0.002 Å
• c: 12.951 ± 0.004 Å
• α: 90°
• β: 103.09 ± 0.007°
• γ: 90°
• Cell volume: 1147 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes