Information card for entry 7127518

Structure parameters

• Formula: C23 H18 Cl2 O2
• Calculated formula: C23 H18 Cl2 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: 5.4867 ± 0.0005 Å
• b: 12.1391 ± 0.0011 Å
• c: 28.047 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No