Information card for entry 7156281

Structure parameters

• Formula: C28 H44 Br N O4 S
• Calculated formula: C28 H44 Br N O4 S
• Title of publication: Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.
• Authors of publication: Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 4650 - 4658
• a: 5.6897 ± 0.0003 Å
• b: 11.2486 ± 0.0005 Å
• c: 45.457 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2909.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No