Information card for entry 7154007

Structure parameters

• Common name: trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one
• Formula: C14 H19 N O3 S
• Calculated formula: C14 H19 N O3 S
• SMILES: N1(C(=O)[C@H]([C@@H](C1)C)S(=O)(=O)c1ccccc1)CCC
• Title of publication: Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.
• Authors of publication: Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 38
• Pages of publication: 7612 - 7628
• a: 7.681 ± 0.003 Å
• b: 12.525 ± 0.005 Å
• c: 14.693 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1413.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No