Conformational Analysis of 2-Substituted Cyclobutane-α-amino Acid Derivatives. A Synergistic Experimental and Computational Study
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https://figshare.com/articles/dataset/Conformational_Analysis_of_2_Substituted_Cyclobutane_amino_Acid_Derivatives_A_Synergistic_Experimental_and_Computational_Study/3235093
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资源简介：
An extensive conformational study of different 2-substituted cyclobutane-α-amino acid derivatives in
the solid state, in the gas phase, and in solution has been carried out. The study combines experimental
techniques, such as X-ray diffraction and NMR spectroscopy, and computational methods, such as DFT
calculations and molecular dynamics (MD) simulations, in a set solvent. The study reveals that the
substituent at C2 in the cyclobutane ring, when fixed in an equatorial position, modulates the conformational
preference of the ring-puckering.
创建时间：
2006-03-03
