Information card for entry 1571519

Structure parameters

• Common name: Sarah120723
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• Title of publication: A C-H functionalization approach to diverse nitrogenous scaffolds through conjugate addition of catalytic allyliron nucleophiles.
• Authors of publication: Scrivener, Sarah G.; Wang, Yi-Ming
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8850 - 8857
• a: 13.4572 ± 0.0006 Å
• b: 9.9639 ± 0.0005 Å
• c: 12.5603 ± 0.0006 Å
• α: 90°
• β: 102.524 ± 0.002°
• γ: 90°
• Cell volume: 1644.09 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0704
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No