Subject: Re: CCL:How can one get the chiral form of [5]Helicene, when using Spartan?

From: Jeffrey Gosper <[email-masked]>
Date: Fri, 30 Aug 1996 01:30:39 PDT

> I was calculating the structure of [5] Helicene in Spartan using various 
> models: AM1, Sybyl, etc. All of these structure had a C2v point group 
> symmetry, which means that the structure is a-chiral. 
> Question: How can one get the chiral form of the [5] Helicene, When using 
> Spartan?

Have a look at http://www.caos.kun.nl/~borkent/paper27.html and 
http://www.brunel.ac.uk/depts/chem/ch241s/re_view/addconf.htm
for XYZ coordinates of the flip process for octahelicene. This should give you a starting point.

PS: Movies and 3D-animation on this topic (as well as a load of functhur information) can be found at 
these locations.

/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
 Dr. Jeff Gosper, Dept. of Chemistry, BRUNEL University
 Uxbridge Middx UB8 3PH, UK
 voice:  01895 274000 x2187, facsim: 01895 256844
 internet/email/work:   [email-masked]
 internet/WWW: http://www.brunel.ac.uk/~castjjg
 Re_View's home page (molecular animations or Chem-4D):
        http://www.brunel.ac.uk/depts/chem/ch241s/re_view/re_view.htm
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