Information card for entry 2226850

Structure parameters

• Chemical name: Diethyl 2,2'-(biphenyl-2,2'-diyldioxy)diacetate
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• SMILES: O(CC)C(=O)COc1c(cccc1)c1ccccc1OCC(=O)OCC
• Title of publication: Diethyl 2,2'-(biphenyl-2,2'-diyldioxy)diacetate
• Authors of publication: Ali, Qamar; Anis, Itrat; VanDerveer, Donald; Shah, Muhammad Raza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1984
• a: 7.4683 ± 0.0013 Å
• b: 10.8189 ± 0.0015 Å
• c: 12.05 ± 0.002 Å
• α: 104.733 ± 0.017°
• β: 95.05 ± 0.02°
• γ: 106.897 ± 0.014°
• Cell volume: 887.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes