Information card for entry 1570236

Structure parameters

• Formula: C20 H18 F2 O2 Se
• Calculated formula: C20 H18 F2 O2 Se
• Title of publication: A highly diastereoselective strain-release Doyle-Kirmse reaction: access to functionalized difluoro(methylene)cyclopropanes.
• Authors of publication: Midya, Suparnak; Hari, Durga Prasad
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 46
• Pages of publication: 13560 - 13567
• a: 10.8764 ± 0.001 Å
• b: 12.9635 ± 0.0012 Å
• c: 12.9906 ± 0.0012 Å
• α: 90°
• β: 92.134 ± 0.004°
• γ: 90°
• Cell volume: 1830.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No