Qi, J., Beeler, A. B., Zhang, Q. & Porco, J. A. Jr Catalytic enantioselective alkylative dearomatization annulation: total synthesis and absolute configuration assignment of hyperibone K.
It must be stressed that absolute and unambiguous assignment of 14 was not possible in the present study.
Pescitelli, G. & Bruhn, T. Good computational practice in the assignment of absolute configurations by TDDFT calculations of ECD spectra.
The natural alkaloid isoanabasine: synthesis from 2,3′-bipyridine, efficient resolution with BINOL, and assignment of absolute configuration by Mosher's method.
The assignment of absolute configuration was accomplished by NMR, which is supported by corresponding X-ray structure and optical rotation data.
A general protocol for the design of successful chiral derivatizing agents (CDAs) for the NMR assignment of absolute configuration is described.
The link between macroscopic microscopic phenomena and molecular chirality proves that crystals are necessary for the direct assignment of absolute configuration of chiral molecules [16].
Thus, the ECD and UV spectra of 1 were predicted by quantum-chemical calculation using TDDFT not only to verify the assignment of absolute configuration but also to investigate the ECD behavior of the bis(thiosemicarbazone) group.
The latter transformations involve the assignment of absolute ranks to all available trait measurements in a serially increasing order (Rank), after which the ranks are transformed to normality (Rtn).
The X-ray result not only completely agreed with the proposed structure but also allowed unambiguous assignment of its absolute configuration with absolute structure parameter 0.03 7) based on the final refinement on the Mo K α data, and due to the existence of heavy sulfur atom in 1.
