Information card for entry 2242268

Structure parameters

• Chemical name: <i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-Methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one
• Formula: C22 H34 O6
• Calculated formula: C22 H34 O6
• Title of publication: Pseudosymmetry and high <i>Z</i>' structures: the case of <i>rac</i>-(2<i>R</i>,2'<i>R</i>,5'<i>S</i>)-2-methyl-5'-[(1<i>R</i>,2<i>R</i>,5<i>S</i>,5'<i>S</i>)-1,4,4,5'-tetramethyldihydro-3'<i>H</i>-3,8-dioxaspiro[bicyclo[3.2.1]octane-2,2'-furan]-5'-yl]-3,4,1',2',3',4'-hexahydro-[2,2'-bifuran]-5(2<i>H</i>)-one
• Authors of publication: Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1282 - 1286
• a: 13.709 ± 0.002 Å
• b: 14.198 ± 0.002 Å
• c: 23.339 ± 0.002 Å
• α: 72.878 ± 0.01°
• β: 82.765 ± 0.015°
• γ: 77.051 ± 0.014°
• Cell volume: 4222.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1745
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes