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Ethyl (3S)-3-[(3aR,5R,6S,6aR)-6-hy­droxy-2,2-di­methyl­tetra­hydro­furo[4,5-d][1,3]dioxol-5-yl]-3-{(3S)-3-[(3aR,5R,6S,6aR)-6-hy­droxy-2,2-di­methyl­tetra­hydro­furo[4,5-d][1,3]dioxol-5-yl]-5-oxoisoxazolidin-2-yl}propano­ate chloro­form monosolvate

The title compound, C(22)H(33)NO(12)·CHCl(3), was obtained as a product of a double aza-Michael addition of hydroxyl­amine on a Chiron with a known absolute configuration. The enanti­opure compound crystallized as a chloro­form solvate, in space group P1, and diffraction data were collected at room...

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Detalles Bibliográficos
Autores principales: Amaro Hernández, Aldo Guillermo, Rodríguez Tzompantzi, Tomasa, Dávila García, Álvaro, Meza-León, Rosa Luisa, Bernès, Sylvain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462232/
https://www.ncbi.nlm.nih.gov/pubmed/36340615
http://dx.doi.org/10.1107/S2414314620007889
Descripción
Sumario:The title compound, C(22)H(33)NO(12)·CHCl(3), was obtained as a product of a double aza-Michael addition of hydroxyl­amine on a Chiron with a known absolute configuration. The enanti­opure compound crystallized as a chloro­form solvate, in space group P1, and diffraction data were collected at room temperature with Ag Kα radiation. The Flack parameter refined to x = −0.01 (16); however, the Flack and Watkin 2AD plot clearly shows that differences between Friedel opposites (the D component of the plot) do not carry any reliable information about resonant scattering of Cl atoms, and are rather dominated by random and systematic errors. The R(D) factor calculated using 1941 acentric Friedel pairs is R(D) = 0.995. On the other hand, the 2A component of the plot, related to average intensities of Friedel pairs, shows that data are of good quality (R(A) = 0.069). This example illustrates that while using Ag Kα radiation (λ = 0.56083 Å), scatterers heavier than Cl should be present in a chiral crystal in order to determine confidently the absolute structure of the crystal. [Image: see text]