Information card for entry 7111761

Structure parameters

• Formula: C32 H37 F2 N O3 S2
• Calculated formula: C32 H37 F2 N O3 S2
• Title of publication: Transannular, decarboxylative Claisen rearrangement reactions for the synthesis of sulfur-substituted vinylcyclopropanes
• Authors of publication: Craig, Donald; Gore, Sophie J.; Lansdell, Mark I.; Lewis, Simon E.; Mayweg, Alexander V. W.; White, Andrew J. P.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 4991 - 4993
• a: 11.4277 ± 0.0003 Å
• b: 11.7915 ± 0.0003 Å
• c: 22.841 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077.82 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No