Information card for entry 7151243

Structure parameters

• Common name: N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline
• Chemical name: N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline
• Formula: C19 H19 N O4 S
• Calculated formula: C19 H19 N O4 S
• SMILES: S(=O)(=O)(N1C(C(=CC1)C(=O)OC)c1ccccc1)c1ccc(cc1)C
• Title of publication: The dihydrofuran template approach to furofuran synthesis.
• Authors of publication: Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2912 - 2927
• a: 5.8932 ± 0.0004 Å
• b: 9.2189 ± 0.0007 Å
• c: 16.1992 ± 0.0013 Å
• α: 87.502 ± 0.003°
• β: 89.201 ± 0.003°
• γ: 77.553 ± 0.003°
• Cell volume: 858.57 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No