Information card for entry 4128280

Structure parameters

• Formula: C32 H42 N2
• Calculated formula: C32 H42 N2
• SMILES: N1(C(N(c2ccccc2)c2ccccc2)C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reductive Elimination at Carbon under Steric Control.
• Authors of publication: Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 25
• Pages of publication: 9823 - 9826
• a: 17.9751 ± 0.0003 Å
• b: 15.1881 ± 0.0003 Å
• c: 9.872 ± 0.0002 Å
• α: 90°
• β: 97.535 ± 0.001°
• γ: 90°
• Cell volume: 2671.86 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No