Information card for entry 7130607

Structure parameters

• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• Title of publication: SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones
• Authors of publication: Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.3323 ± 0.0006 Å
• b: 11.0667 ± 0.0005 Å
• c: 14.5237 ± 0.0008 Å
• α: 90°
• β: 112.634 ± 0.002°
• γ: 90°
• Cell volume: 1681.15 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No