Information card for entry 2017432

Structure parameters

• Chemical name: (7<i>S</i>)-<i>N</i>-[4-(3-thienyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3- carbonyl]-2,10-camphorsultam tetrahydrofuran hemisolvate
• Formula: C26 H33 N O3.5 S2
• Calculated formula: C26 H33 N O3.5 S2
• Title of publication: Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes
• Authors of publication: Goodreid, Jordan D.; Jennings, Michael C.; Tam, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o649 - o652
• a: 12.0797 ± 0.0017 Å
• b: 12.0797 ± 0.0017 Å
• c: 28.326 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3579.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes