Information card for entry 7152355

Structure parameters

• Common name: sulfoxide
• Formula: C35 H41 N O3 S Si
• Calculated formula: C35 H41 N O3 S Si
• SMILES: S(=O)(N[C@H]([C@@H](Cc1ccccc1)C(=O)OC)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccc(C)cc1
• 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: 13.4861 ± 0.0014 Å
• b: 8.3629 ± 0.0009 Å
• c: 14.9897 ± 0.0016 Å
• α: 90°
• β: 110.252 ± 0.002°
• γ: 90°
• Cell volume: 1586.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No