Information card for entry 2239327

Structure parameters

• Chemical name: Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: CCOC(=O)c1ccccc1OCCOc1ccccc1C(=O)OCC
• Title of publication: Diethyl 2,2'-(ethane-1,2-diyldioxy)dibenzoate
• Authors of publication: Shi, Huaduan; Qin, Haisha; Ma, Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o552
• a: 21.805 ± 0.004 Å
• b: 9.871 ± 0.002 Å
• c: 8.8646 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1908 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes