Information card for entry 7152350

Structure parameters

• Common name: azetidine
• Formula: C27 H33 N O2 S Si
• Calculated formula: C27 H33 N O2 S Si
• SMILES: [C@@H]1(CCN1S(=O)(=O)c1ccc(cc1)C)C[Si](c1ccccc1)(c1ccccc1)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: 18.687 ± 0.005 Å
• b: 8.149 ± 0.005 Å
• c: 18.235 ± 0.005 Å
• α: 90 ± 0.005°
• β: 115.58 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2504.7 ± 1.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No