Information card for entry 4027261

Structure parameters

• Formula: C21 H23 N O5 S
• Calculated formula: C21 H23 N O5 S
• SMILES: S(=O)(=O)(OC[C@]12O[C@@H]2CCN(C1=O)[C@@H](C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Direct Chemical Method for Preparing 2,3-Epoxyamides Using Sodium Chlorite
• Authors of publication: Lilia Fuentes; Urbano Osorio; Leticia Quintero; Herbert Höpfl; Nixache Vázquez-Cabrera; Fernando Sartillo-Piscil
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5515 - 5524
• a: 8.521 ± 0.003 Å
• b: 8.286 ± 0.002 Å
• c: 14.091 ± 0.004 Å
• α: 90°
• β: 102.858 ± 0.005°
• γ: 90°
• Cell volume: 969.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No