Information card for entry 4128284

Structure parameters

• Formula: C27 H43 N S
• Calculated formula: C27 H43 N S
• 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: 9.6679 ± 0.0004 Å
• b: 18.7513 ± 0.0007 Å
• c: 13.8244 ± 0.0005 Å
• α: 90°
• β: 102.399 ± 0.002°
• γ: 90°
• Cell volume: 2447.71 ± 0.16 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0371
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No