Information card for entry 2218984

Structure parameters

• Chemical name: Di-tert-butyl 2,2'-(biphenyl-2,2'-diyldioxy)diacetate
• Formula: C24 H30 O6
• Calculated formula: C24 H30 O6
• SMILES: O(C(=O)COc1ccccc1c1ccccc1OCC(=O)OC(C)(C)C)C(C)(C)C
• Title of publication: Di-<i>tert</i>-butyl 2,2'-(biphenyl-2,2'-diyldioxy)diacetate
• Authors of publication: Ali, Qamar; Ibad, Farooq; Shah, Muhammad Raza; VanDerveer, Donald
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1408
• a: 7.7458 ± 0.0015 Å
• b: 12.112 ± 0.002 Å
• c: 13.48 ± 0.003 Å
• α: 67.36 ± 0.03°
• β: 82.11 ± 0.03°
• γ: 82.68 ± 0.03°
• Cell volume: 1152.3 ± 0.5 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: 0.0473
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes