Information card for entry 7127519

Structure parameters

• Formula: C31 H28 O2
• Calculated formula: C31 H28 O2
• Title of publication: Copper-catalyzed enantioselective synthesis of bridged bicyclic ketals from 1,1-disubstituted-4-methylene-1,6-hexanediols and related alkenols.
• Authors of publication: Burde, Ameya S.; Karyakarte, Shuklendu D.; Sylvester, Eric D.; Chemler, Sherry R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 105 - 108
• a: 14.015 ± 0.002 Å
• b: 9.4761 ± 0.0009 Å
• c: 17.0238 ± 0.0018 Å
• α: 90°
• β: 95.826 ± 0.006°
• γ: 90°
• Cell volume: 2249.2 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No