Information card for entry 7134105

Structure parameters

• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• Title of publication: Palladium-catalyzed distal γ- and ε-benzylation, allylation and allenylation of enones.
• Authors of publication: Sah, Pooja; Kapur, Manmohan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 9
• Pages of publication: 1874 - 1877
• a: 6.151 ± 0.003 Å
• b: 14.019 ± 0.007 Å
• c: 7.211 ± 0.003 Å
• α: 90°
• β: 95.579 ± 0.017°
• γ: 90°
• Cell volume: 618.9 ± 0.5 ų
• Cell temperature: 99 K
• Ambient diffraction temperature: 99 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No