Information card for entry 2217167

Structure parameters

• Chemical name: (S)-2-(Iodomethyl)-1-tosylpyrrolidine
• Formula: C12 H16 I N O2 S
• Calculated formula: C12 H16 I N O2 S
• SMILES: IC[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C
• Title of publication: (<i>S</i>)-2-(Iodomethyl)-1-tosylpyrrolidine
• Authors of publication: Ya-Wen Wang; Yu Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o56 - o56
• a: 7.6345 ± 0.0016 Å
• b: 7.7084 ± 0.0016 Å
• c: 12.071 ± 0.003 Å
• α: 90°
• β: 93.17 ± 0.01°
• γ: 90°
• Cell volume: 709.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes