Information card for entry 7160589

Structure parameters

• Formula: C16 H18 N2 O3
• Calculated formula: C16 H18 N2 O3
• Title of publication: Harnessing the reactivity of captodative radicals: photocatalytic α-pyridination of glycyl derivatives through reversible radical coupling.
• Authors of publication: Yamazaki, Ken; Akimoto, Shuta; Miura, Tomoya
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 43
• Pages of publication: 9936 - 9941
• a: 8.1083 ± 0.0005 Å
• b: 9.6805 ± 0.0005 Å
• c: 10.8014 ± 0.0005 Å
• α: 84.851 ± 0.004°
• β: 69.482 ± 0.005°
• γ: 67.945 ± 0.005°
• Cell volume: 735.08 ± 0.08 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No