Re: [sdpd] Identifying unknown structures for organics

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

Hi,

The building of a list of organic and organometallic solid compounds
which could be found in the Aldrich Chemical Company catalog,
and are still not in CSD, is going on.

CCDC has kindly provided the list of known crystal structures
in CSD. Thanks a lot !

However, the chemical formula index of the Aldrich catalog has
not been obtained in digital form yet (.txt). Scanning it from the
catalog would be tedious (150 pages, ~17000 products including
solids and liquids). So that, only a random test was performed,
starting at the beginning of the C11H7* list of compounds in the
Aldrich catalog. Well, the first 2 are solid compounds, not in the
CSD...          http://www.cristal.org/iniref/CSD-Aldrich.html

Completing this file of unknown structures for commercially
available compounds will be made ASAP. Any help welcome.

This is promising that a huge number or affordable organic and
organometallic solid compounds, with unknown structures, is
probably waiting you in these catalogs (in fact in several catalogs
from different chemical companies - Aldrich proposes also another
catalog of >90000 fine chemicals, etc).

Best,

Armel


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