Information card for entry 4034340

Structure parameters

• Formula: C26 H30 N2 O3
• Calculated formula: C26 H30 N2 O3
• SMILES: O=C(Nc1cccc(c1)C)[C@H]1[C@H](C2CCCCC2)CC(=O)N(c2cccc(c2)C)C1=O
• 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: 11.06 ± 0.002 Å
• b: 9.1934 ± 0.0017 Å
• c: 22.324 ± 0.005 Å
• α: 90°
• β: 94.265 ± 0.007°
• γ: 90°
• Cell volume: 2263.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No