Information card for entry 7129862

Structure parameters

• Formula: C31 H31 I N2 O5
• Calculated formula: C31 H31 I N2 O5
• Title of publication: Atroposelective Construction of Axially Chiral Enamides via N‑Allylic Alkylation
• Authors of publication: Li, Xin; Zhou, Qianyi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.2462 ± 0.0003 Å
• b: 13.0571 ± 0.0003 Å
• c: 23.0265 ± 0.0007 Å
• α: 90°
• β: 96.045 ± 0.003°
• γ: 90°
• Cell volume: 2764.5 ± 0.14 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No