Information card for entry 4128151

Structure parameters

• Chemical name: 4-(1-((4-methoxybenzyl)-l4-azanyl)propan-2-yl)-4l4-morpholine, 4-methylbenzenesulfonate salt
• Formula: C29 H40 N2 O8 S2
• Calculated formula: C29 H40 N2 O8 S2
• Title of publication: Rhodium-Catalyzed Asymmetric Hydroamination of Allyl Amines.
• Authors of publication: Vanable, Evan P.; Kennemur, Jennifer L.; Joyce, Leo A.; Ruck, Rebecca T.; Schultz, Danielle M.; Hull, Kami L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 2
• Pages of publication: 739 - 742
• a: 6.1734 ± 0.0002 Å
• b: 12.3999 ± 0.0004 Å
• c: 20.4254 ± 0.0006 Å
• α: 97.203 ± 0.001°
• β: 97.059 ± 0.001°
• γ: 99.727 ± 0.001°
• Cell volume: 1512.23 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No