Information card for entry 4129505

Structure parameters

• Formula: C19 H29 N O4
• Calculated formula: C19 H29 N O4
• Title of publication: Cyclic Ether Synthesis via Palladium-Catalyzed Directed Dehydrogenative Annulation at Unactivated Terminal Positions.
• Authors of publication: Thompson, Samuel J.; Thach, Danny Q.; Dong, Guangbin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 36
• Pages of publication: 11586 - 11589
• a: 5.9305 ± 0.0004 Å
• b: 20.1095 ± 0.0013 Å
• c: 15.573 ± 0.002 Å
• α: 90°
• β: 90.69 ± 0.01°
• γ: 90°
• Cell volume: 1857.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.1017
• Weighted residual factors for significantly intense reflections: 0.2649
• Weighted residual factors for all reflections included in the refinement: 0.2814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.286
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No