Information card for entry 7159928

Structure parameters

• Formula: C16 H22 I N O2
• Calculated formula: C16 H22 I N O2
• Title of publication: Borrowing Hydrogen C-alkylation with secondary saturated heterocyclic alcohols
• Authors of publication: François, Jordan; Jacolot, Maiwenn; Popowycz, Florence
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 9.6026 ± 0.0003 Å
• b: 10.9032 ± 0.0003 Å
• c: 15.9038 ± 0.0005 Å
• α: 80.907 ± 0.003°
• β: 89.846 ± 0.002°
• γ: 80.988 ± 0.002°
• Cell volume: 1623.48 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0634
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No