Information card for entry 1506082

Structure parameters

• Formula: C15 H28 O2 S2 Si
• Calculated formula: C15 H28 O2 S2 Si
• Title of publication: Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.
• Authors of publication: Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 3891 - 3894
• a: 22.425 ± 0.002 Å
• b: 12.731 ± 0.0011 Å
• c: 13.8126 ± 0.0013 Å
• α: 90°
• β: 105.313 ± 0.008°
• γ: 90°
• Cell volume: 3803.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No