Information card for entry 4034339

Structure parameters

• Formula: C26 H23 I N2 O3
• Calculated formula: C26 H23 I N2 O3
• 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: 5.602 ± 0.0006 Å
• b: 18.4031 ± 0.0018 Å
• c: 24.676 ± 0.003 Å
• α: 90°
• β: 90.769 ± 0.004°
• γ: 90°
• Cell volume: 2543.7 ± 0.5 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102.19 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No