Jump to content

Talk:Mod:JPSO

From ChemWiki

Comments

Cyclopentadiene and Taxol

CPD - Good discussion and all values correct


Taxol – what about chair conformations? Do you expect boats to give the lowest values? From looking at the pictures I think you have modelled some chair conformations! Good discussion re bond angles and hyperstabilty.


NMR

You have now decided chairs are the lowest energy! Should have tried all in the section above and extrapolated from there. Align the table to make computed and literature comparable. Good discussion


Epoxide

Crystal structure

Excellent discussion

NMR

Good!


Absolute configuration

Good that you weren’t convinced by the literature! Very good discussion and calculations. Some suggestions from you as to why the selectivities are as they are would have made a nice addition to the report


QTAIM and NCI

good but for both you could have gone a bit deeper into the discussion!


Suggestion

Good suggestion, but it doesn’t have an optical rotation in the range you quote!!