Information card for entry 1506660

Structure parameters

• Formula: C22 H23 N O4 S
• Calculated formula: C22 H23 N O4 S
• SMILES: S(=O)(=O)(N1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H]1CCc1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H]1CCc1ccccc1)c1ccc(cc1)C
• Title of publication: Regulation of stereoselectivity using Lewis acid in the cyclization of allenic aldehydes catalyzed by palladium complex.
• Authors of publication: Yu, Chan-Mo; Youn, Jinsuop; Lee, Min-Kyoung
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3733 - 3736
• a: 8.446 ± 0.002 Å
• b: 12.812 ± 0.003 Å
• c: 19.021 ± 0.003 Å
• α: 88.816 ± 0.013°
• β: 83.451 ± 0.018°
• γ: 89.42 ± 0.03°
• Cell volume: 2044.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1163
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No