Information card for entry 7152352

Structure parameters

• Common name: benzyl pyrrolidine
• Formula: C34 H39 N O2 S Si
• Calculated formula: C34 H39 N O2 S Si
• SMILES: [Si](c1ccccc1)(c1ccccc1)([C@H]1CN(S(=O)(=O)c2ccc(cc2)C)C[C@@H]1Cc1ccccc1)C(C)(C)C
• Title of publication: A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.
• Authors of publication: Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 22
• Pages of publication: 4390 - 4399
• a: 10.1607 ± 0.0007 Å
• b: 13.0737 ± 0.001 Å
• c: 22.9043 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3042.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No