Information card for entry 2212915

Structure parameters

• Chemical name: 4,4'-(ethylenedioxy)dibenzaldehyde
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: O(c1ccc(cc1)C=O)CCOc1ccc(cc1)C=O
• Title of publication: A new polymorph of 4,4'-(ethylenedioxy)dibenzaldehyde
• Authors of publication: Ashish Kumar Tewari; Ved Prakash Singh; Carmen Puerta; Pedro Valerga
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1930 - o1931
• a: 16.024 ± 0.003 Å
• b: 11.3 ± 0.002 Å
• c: 7.8015 ± 0.0016 Å
• α: 90°
• β: 114.79 ± 0.03°
• γ: 90°
• Cell volume: 1282.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes