Information card for entry 4034338

Structure parameters

• Formula: C27 H30 N2 O5 S
• Calculated formula: C27 H30 N2 O5 S
• SMILES: S(=O)(=O)(OCC[C@H](C(C(=O)Nc1cc(ccc1)C)C(=O)Nc1cccc(c1)C)c1ccccc1)C
• Title of publication: Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.
• Authors of publication: Porey, Arka; Santra, Surojit; Guin, Joyram
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5313 - 5327
• a: 9.38 ± 0.001 Å
• b: 11.273 ± 0.0011 Å
• c: 25.44 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2690 ± 0.5 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.27 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: 0.0803
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No