Information card for entry 1572421

Structure parameters

• Formula: C22 H21 N O
• Calculated formula: C22 H21 N O
• Title of publication: Modular synthesis of aryl amines from 3-alkynyl-2-pyrones
• Authors of publication: Gardner, Kristen E.; de Lescure, Louis; Hardy, Melissa; Tan, Jin; Sigman, Matthew; Paton, Robert S.; Sarpong, Richmond
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 11.8697 ± 0.0001 Å
• b: 14.3822 ± 0.0002 Å
• c: 9.9352 ± 0.0001 Å
• α: 90°
• β: 95.776 ± 0.001°
• γ: 90°
• Cell volume: 1687.45 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No