Talk:Mod:JPSO
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!!