Rationalization and Application of the Stereopreference of Cyclic Downstream Aminocatalytic Intermediates

DOI: 10.14469/hpc/5098 Metadata

Created: 2019-03-12 09:11

Last modified: 2020-01-08 15:21

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Co-author: Alan Spivey
Co-author: Christian Nielsen
Co-author: Jordi Bures
Co-author: Xavier Companyó

Description

Computed relative free energies of cyclic chiral lactols

Member of collection / collaboration

DOIDescription
10.14469/hpc/2097 Error

Members

DOIDescription
10.14469/hpc/5962 CCDC search
10.14469/hpc/5104 SRRR +BJ -1946.981408
10.14469/hpc/5094 5. (S,S), N eq, (S)-2-(((tert-butyldimethylsilyl)oxy)diphenylmethyl)-1-((1S,2R,3S,4S)-2-methyl-4-nitro-3-phenylcyclobutyl)pyrrolidine -1946.985963
10.14469/hpc/6044 (R,S,S), methyl axial, N eq +BJ -1625.863060 conf => -1625.854627
10.14469/hpc/5092 (S,S,R,S), methyl equatorial, N eq +BJ -1625.867723 => -1625.871087
10.14469/hpc/6046 (S,S,S), methyl equatorial, N eq +BJ Superfinegrid -1625.867813
10.14469/hpc/5079 R,R N eq -1586.560515
10.14469/hpc/5077 R,S, N ax -1586.552863
10.14469/hpc/5083 S,S N eq -1586.553367
10.14469/hpc/5082 S,S N ax -1586.543060

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