Information card for entry 2017433

Structure parameters

• Chemical name: (7<i>S</i>)-<i>N</i>-[4-(4-tolyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl]- 2,10-camphorsultam
• Formula: C27 H33 N O3 S
• Calculated formula: C27 H33 N O3 S
• SMILES: Cc1ccc(cc1)C1=C([C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)C(=O)N1[C@@H]2C[C@@H]3C([C@@]2(CS1(=O)=O)CC3)(C)C
• 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: 11.687 ± 0.002 Å
• b: 12.849 ± 0.003 Å
• c: 31.547 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4737.3 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes