Information card for entry 4128285

Structure parameters

• Formula: C39 H54 N P
• Calculated formula: C39 H54 N P
• SMILES: P([C@H]1N(C(C[C@]21C[C@@H](CC[C@H]2C(C)C)C)(C)C)c1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1
• 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: 18.3658 ± 0.0004 Å
• b: 18.8888 ± 0.0004 Å
• c: 19.5947 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6797.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No