Information card for entry 7152354

Structure parameters

• Common name: 4-flurophenylpyrrolidine
• Formula: C33 H36 F N O2 S Si
• Calculated formula: C33 H36 F N O2 S Si
• SMILES: c1(ccccc1)[Si](c1ccccc1)([C@@H]1[C@@H](c2ccc(cc2)F)CN(C1)S(=O)(=O)c1ccc(C)cc1)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: 9.969 ± 0.005 Å
• b: 10.025 ± 0.005 Å
• c: 29.109 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2909 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1125
• 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