Information card for entry 4114790

Structure parameters

• Chemical name: (-)-(1R,2S-[2S,2-bS])-2-[(2-methyl-hexahydro-pyrrolo[1,2-b]isoxazol- 2-ylmethyl)-amino]-1-phenyl-propan-1-ol bis-hydrochloride
• Formula: C17 H30 Cl2 N2 O3
• Calculated formula: C17 H28 Cl2 N2 O3
• Title of publication: Iron and Ruthenium Lewis Acid Catalyzed Asymmetric 1,3-Dipolar Cycloaddition Reactions between Nitrones and Enals
• Authors of publication: Florian Viton; Gérald Bernardinelli; E. Peter Kündig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 4968 - 4969
• a: 7.2432 ± 0.0004 Å
• b: 12.3845 ± 0.0009 Å
• c: 21.8269 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1957.9 ± 0.2 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No