Information card for entry 2206783

Structure parameters

• Chemical name: 2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde
• Formula: C17 H16 O4
• Calculated formula: C17 H16 O4
• SMILES: O=Cc1c(OCCCOc2ccccc2C=O)cccc1
• Title of publication: 2,2'-(Propane-1,3-diyldioxy)dibenzaldehyde
• Authors of publication: Pu-Zhou Hu; Lu-Fang Ma; Jian-Ge Wang; Bang-Tun Zhao; Li-Ya Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2775 - o2777
• a: 12.8275 ± 0.0012 Å
• b: 14.8431 ± 0.0013 Å
• c: 7.8272 ± 0.0007 Å
• α: 90°
• β: 95.334 ± 0.002°
• γ: 90°
• Cell volume: 1483.8 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0833
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes