Srebri wrote:
>I am afraid that it will be quite difficult to
>solve the structure of Form 1 from X-ray powder data only, but if I have not
>any other choice, I can try. Any advise?
If it is not more complex than the tetracycline hydrochloride,
sample 2 of the SDPD Round Robin, you have a chance either by
classical methods or molecule location methods. The IUCr Workshop
"Structure Solution from Powder Diffraction Data" , August 4, 1999,
SECC, Glasgow, Scotland, U.K. could be interesting for you,
knowing that :
" During the workshop, Bill David and Kenneth Shankland will release
their Simulated Annealing program for structure solution of molecular
compounds from powder data to the public."
See : http://btakx3.kri.uni-bayreuth.de/~btak03/
Best wishes,
Armel Le Bail - Université du Maine, Laboratoire des Fluorures,
CNRS ESA 6010, Av. O. Messiaen, 72085 Le Mans Cedex 9, France
http://www.cristal.org/
