Information card for entry 4129506

Structure parameters

• Formula: C28 H29 N O4
• Calculated formula: C28 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: 9.5712 ± 0.001 Å
• b: 16.0938 ± 0.0019 Å
• c: 15.5175 ± 0.0015 Å
• α: 90°
• β: 103.693 ± 0.01°
• γ: 90°
• Cell volume: 2322.3 ± 0.4 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: 0.0564
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No