[sdpd] UPPW-2 results - UPPW-3 problem

[Armel Le Bail <alb...@cristal.org>]

Hello,

All most probable cells for UPPW-2 are gathered at :
                http://www.cristal.org/uppw/uppw2.html
That time, there is more dispersion in the results. Seems
to be a case with a short parameter not involved in the first
20 lines being h0l. Having access to the raw diffraction
pattern would be essential for a final choice.

And now the UPPW-3 problem. Please, do not answer
directly to the SDPD list (only to uppw...@cristal.org).

This time, it is a sample from the Sigma Chemical Company,
St. Louis, Missouri, USA. So, Peter, I can buy it and send it
to you, or you can buy it, if it is still in their catalog, this
would avoid a double flight above the Atlantic ocean before
making the synchrotron pattern.


UPPW - 3 :

ICDD 44-1794
C18H21ClN2.HCl
Chlorcyclizine hydochloride
Radiation CuKalpha : 1.54178 A
Filter : mono
Mica used as an internal standard
Ref: Bernstein, J., Zevin, L., Ben-Gurion University of the
Negev, Beer-Sheva, Israel
ICDD Grant-in-Aid (1993)

Not listed in the Cambridge Structural Database.

d(A),  Intensity
8.3668   6
7.5134  19
7.2937   7
6.2809   1
5.8962  12
5.6632   3
5.2867   3
4.9458 100
4.8731  10
4.6755   2
4.5518  16
4.4779  18
4.3907  18
4.2716  14
4.1878  25
4.1414  16
4.0415  13
3.8320  21
3.7425   8
3.6297   7
3.5157   7
3.4149   2
3.2830   6
3.2213  18
3.1312   3
3.1021   8
3.0862   7
3.0244   7
2.9932   9
2.8932   4
2.8425   5
2.8248   5
2.7577   1
2.6626   4
2.6167   4
2.5852   2

No obligation to use all these d values, of
course.

Best wishes !
Results in one week, in principle.

Armel

PS - Joel Bernstein queried about this UPPW-3 pattern
suggests to contact the person who was Dr. Zevin's technician,
Mrs. Shoshana Lach. If some SDPD mailing list subscriber
in Israel can obtain the raw data, this would be nice ?



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