Information card for entry 7152356

Structure parameters

• Common name: REUT
• Formula: C34 H38 F N O3 S Si
• Calculated formula: C34 H38 F N O3 S Si
• SMILES: S(=O)(N[C@@H](C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](c1ccc(F)cc1)C(=O)OC)c1ccc(cc1)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: 8.458 ± 0.005 Å
• b: 36.758 ± 0.005 Å
• c: 9.963 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.409 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3097 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No