Information card for entry 7156890

Structure parameters

• Formula: C18 H15 N O4 S
• Calculated formula: C18 H15 N O4 S
• Title of publication: Synthesis of β-sulfinyl cyclobutane carboxylic amides via a formal α to β sulphoxide migration process.
• Authors of publication: Ghisu, Lorenza; Melis, Nicola; Serusi, Lorenzo; Luridiana, Alberto; Soddu, Francesco; Secci, Francesco; Caboni, Pierluigi; Guillot, Régis; Aitken, David J.; Frongia, Angelo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 25
• Pages of publication: 6143 - 6147
• a: 11.4012 ± 0.0008 Å
• b: 24.6145 ± 0.0017 Å
• c: 21.8613 ± 0.0017 Å
• α: 90°
• β: 90.414 ± 0.003°
• γ: 90°
• Cell volume: 6134.9 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No