Information card for entry 4028897

Structure parameters

• Formula: C18 H18 N2 O6 S
• Calculated formula: C18 H18 N2 O6 S
• SMILES: c1(ccc(cc1)N(=O)=O)S(=O)(=O)N1[C@H](c2ccccc2)[C@@H](C(=O)OC)CC1.c1cc(ccc1S(=O)(=O)N1[C@@H](c2ccccc2)[C@H](C(=O)OC)CC1)N(=O)=O
• Title of publication: 2-Trimethylsilylethanesulfonyl (SES) versus Tosyl (Ts) Protecting Group in the Preparation of Nitrogen-Containing Five-Membered Rings. A Novel Route for the Synthesis of Substituted Pyrrolines and Pyrrolidines
• Authors of publication: Declerck, Valérie; Allouchi, Hassan; Martinez, Jean; Lamaty, Frédéric
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 1518 - 1521
• a: 7.5353 ± 0.0003 Å
• b: 21.1912 ± 0.0016 Å
• c: 22.4218 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3580.4 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0908
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No