Information card for entry 4128282

Structure parameters

• Formula: C28 H43 N O2
• Calculated formula: C28 H43 N O2
• SMILES: O=C([O-])C1=[N+](C(C[C@@]21[C@@H](CC[C@H](C2)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C.O=C([O-])C1=[N+](C(C[C@]21[C@H](CC[C@@H](C2)C)C(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: 9.595 ± 0.005 Å
• b: 18.456 ± 0.009 Å
• c: 13.848 ± 0.006 Å
• α: 90°
• β: 101.346 ± 0.008°
• γ: 90°
• Cell volume: 2404 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No