Information card for entry 2226591

Structure parameters

• Chemical name: Di-<i>tert</i>-butyl 2,2'-[(biphenyl-4,4'-diyl)dioxy]diacetate
• Formula: C24 H30 O6
• Calculated formula: C24 H30 O6
• SMILES: O=C(OC(C)(C)C)COc1ccc(cc1)c1ccc(cc1)OCC(=O)OC(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl 2,2'-[(biphenyl-4,4'-diyl)dioxy]diacetate
• Authors of publication: Ali, Qamar; Yousuf, Sammer; Raza Shah, Muhammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1739
• a: 9.939 ± 0.0007 Å
• b: 12.6247 ± 0.0008 Å
• c: 9.8458 ± 0.0007 Å
• α: 90°
• β: 114.645 ± 0.001°
• γ: 90°
• Cell volume: 1122.88 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes