[sdpd] UPPW-8 solutions - UPPW-9 problem

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

Hi,

Very few participant for the UPPW-8. They agree on a cell
having a volume close to 1200A**3 :
        http://www.cristal.org/uppw/uppw8.html

UPPW-9 is again a pharmaceutical compound. It is incredible
the number of drugs you take without knowing the crystal structure ;-).
Well, the US FDA (Food and Drug Agency) is promoting crystallography
when requiring the polymorph characterization...
       http://www.cristal.org/uppw/uppw9.html


UPPW-9
January 16, 2004

Problem :

ICDD 50-2293
C42H78N2O14 - dirithromycin - form I
Wavelength   1.5418 A
Filter : graphite monochromator

Ref : G. Stephenson, Eli Lilly & Company, Indianapolis, IN,
USA, Private Communication (1998)

CAS #: 62013-04-1 - form I
Mwt : 835.08

Search in the Cambridge Structural Database :
Form II polymorph of dirithromycin (semisynthetic macrolide antibiotic)
P21, a=12.254, b=13.123, c=14.507, beta = 103.61, V = 2267.3, Z=2.

2-theta  intensities
7.838  100
9.014   35
10.370  76
11.537  23
12.431   2
12.755   2
13.294  10
13.858   9
14.839  21
15.684  69
16.354  67
17.117  23
18.368  31
19.127   7
20.043  40
20.852  17
21.463   5
21.891  15
23.041  15
23.662  17
24.591  10
25.448   8
25.977   3
26.608   7
29.380   7
30.297   1
31.052   2
31.500   2
33.054   3
33.693   2
34.771   3

Best wishes !

Armel





 

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