Information card for entry 7130217

Structure parameters

• Formula: C17 H19 N O
• Calculated formula: C17 H19 N O
• Title of publication: Access to hexahydroazepinone heterocycles via palladium-catalysed C(sp3)–H alkenylation/ring-opening of cyclopropanes
• Authors of publication: Charette, André B.; St-Jacques, Kevin; Ladd, Carolyn L.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.1178 ± 0.0003 Å
• b: 18.3487 ± 0.0007 Å
• c: 8.0923 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.84 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No