Information card for entry 1575308

Structure parameters

• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• Title of publication: Nitrilation of carboxylic acids by P^III/P^V-catalysis.
• Authors of publication: Ali, Siraj Z.; Manno, Nicolás A; Shen, Jeff; Schenker, Alessia; Lipshultz, Jeffrey M.; White, Nicholas A.; Radosevich, Alexander T.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 16145 - 16150
• a: 5.83723 ± 0.00009 Å
• b: 11.91509 ± 0.00019 Å
• c: 23.6848 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1647.3 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No