Information card for entry 1506185

Structure parameters

• Formula: C24 H27 N O6
• Calculated formula: C24 H27 N O6
• SMILES: O=C1O[C@@]2(C(C)(C)[C@]1(CC2)C)C(=O)N1c2c(cc(cc2)OC)[C@]2(C1=O)CCCC(=O)C2
• Title of publication: Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.
• Authors of publication: Feldman, Ken S.; Karatjas, Andrew G.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 18
• Pages of publication: 4137 - 4140
• a: 6.986 ± 0.007 Å
• b: 11.755 ± 0.011 Å
• c: 25.4 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086 ± 3 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 4
• 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: 0.125
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.2782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No