Information card for entry 7133382

Structure parameters

• Common name: dihydroxy_tosylate
• Chemical name: 3-((2R,5S)-5-(hydroxydiphenylmethyl)-1-tosylpyrrolidin-2-yl)propan-1-ol
• Formula: C27 H31 N O4 S
• Calculated formula: C27 H31 N O4 S
• Title of publication: Synthesis and application of chiral <i>cis</i>-2,5-disubstituted pyrrolidine organocatalysts.
• Authors of publication: Singh, Suraj; Kumar, Rohtash; Dubey, Navneet Nandgopal; Appayee, Chandrakumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 66
• Pages of publication: 8768 - 8771
• a: 6.2369 ± 0.0003 Å
• b: 10.018 ± 0.0005 Å
• c: 39.109 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2443.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.289
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No