Information card for entry 4133633

Structure parameters

• Formula: C26 H29 N O4
• Calculated formula: C26 H29 N O4
• SMILES: O(c1ccc(C(Cc2ccccc2)CC(=O)NCc2ccc(OC)cc2OC)cc1)C
• Title of publication: Nickel-Catalyzed 1,2-Diarylation of Simple Alkenyl Amides.
• Authors of publication: Derosa, Joseph; Kleinmans, Roman; Tran, Van T.; Karunananda, Malkanthi K.; Wisniewski, Steven R.; Eastgate, Martin D.; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 17878 - 17883
• a: 9.4479 ± 0.0006 Å
• b: 15.9921 ± 0.0011 Å
• c: 30.118 ± 0.002 Å
• α: 90°
• β: 97.482 ± 0.006°
• γ: 90°
• Cell volume: 4511.8 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1044
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No