Information card for entry 4132632

Structure parameters

• Formula: C20 H36 N2 O2
• Calculated formula: C20 H36 N2 O2
• SMILES: O1C(=N[C@H](C(CCC)CCC)C1)C1OC[C@H](N=1)C(CCC)CCC
• Title of publication: Correction to "Nickel-Catalyzed Asymmetric Reductive Cross-Coupling To Access 1,1-Diarylalkanes".
• Authors of publication: Poremba, Kelsey E.; Kadunce, Nathaniel T.; Suzuki, Naoyuki; Cherney, Alan H.; Reisman, Sarah E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7746
• a: 17.2695 ± 0.0012 Å
• b: 8.4949 ± 0.0006 Å
• c: 21.739 ± 0.0015 Å
• α: 90°
• β: 108.14 ± 0.003°
• γ: 90°
• Cell volume: 3030.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0387
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No