Information card for entry 1504880

Structure parameters

• Formula: C26 H24 Cl N O4 S
• Calculated formula: C26 H24 Cl N O4 S
• SMILES: S(=O)(=O)(N1[C@@H](C(=C[C@@H]1c1ccc(Cl)cc1)C(=O)OCC)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@H](C(=C[C@H]1c1ccc(Cl)cc1)C(=O)OCC)c1ccccc1)c1ccc(cc1)C
• Title of publication: A phosphine-catalyzed [3 + 2] annulation reaction of modified allylic compounds and N-tosylimines.
• Authors of publication: Zheng, Suqing; Lu, Xiyan
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4481 - 4484
• a: 7.9179 ± 0.0017 Å
• b: 13.694 ± 0.003 Å
• c: 22.37 ± 0.005 Å
• α: 90°
• β: 96.841 ± 0.004°
• γ: 90°
• Cell volume: 2408.3 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No