Information card for entry 1570235

Structure parameters

• Formula: C22 H22 F2 O2 S
• Calculated formula: C22 H22 F2 O2 S
• 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: 10.1488 ± 0.0005 Å
• b: 13.7389 ± 0.0007 Å
• c: 15.2173 ± 0.0008 Å
• α: 68.135 ± 0.002°
• β: 83.265 ± 0.002°
• γ: 86.091 ± 0.002°
• Cell volume: 1954.89 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No