It:conquest

Searching the Cambridge crystal database

In the conformational analysis, examples were shown of searches of the Cambridge crystal database. Here are some instructions on how to invoke such searches.

1. Invoke Conquest from the (Windows) start menu (the program is also available for MaxOS).
2. Press the draw button and sketch our four carbons, converting eg the terminal two to e.g. F.
3. From the top Bonds menu, select cyclicity/acyclic and tag the central C-C bond as such (we do not want to constrain it by a ring).

1. From the bottom More menu, select C or H and attach four of these groups, two each to the two central carbon atoms (this ensures that these two atoms are sp3 hybridized.

1. From the right menu, store this first query.

1. From the left menu, select experimental and select Temperature < 150K. Store this search query as well.