Abstract

The crystal structure solution of small-medium size molecules via single crystal X-ray data is almost a routineprocess. When single crystals of sufficient dimensions are not available, electron diffraction is a usefulalternative: the structure solution however may still be a challenge. We have modified the standard version ofSir2008 to include several new tools, which are expected to make the phasing process more straightforward.Additional work is in progress: in Sir2011, the heir of Sir2008, particular emphasis will be given to a newprocedure for the determination of the space groups, to a new approach (BEA) aiming at reducing in thepractice the disturbing effects of the dynamical scattering and to the simulated annealing algorithm, as aphasing tool particularly useful in case of organic structures, when scarce or poor experimental data areavailable.

Autore Pugliese

• Carrozzini Benedetta , Cascarano Giovanni Luca

Tutti gli autori

• Camalli M. ; Carrozzini B. ; Cascarano G.L. ; Giacovazzo C.

Titolo volume/Rivista

Crystal research and technology

Anno di pubblicazione

2011

ISSN

0232-1300

ISBN

Non Disponibile

Numero di citazioni Wos

Nessuna citazione

Ultimo Aggiornamento Citazioni

Non Disponibile

Numero di citazioni Scopus

Non Disponibile

Ultimo Aggiornamento Citazioni

Non Disponibile

Settori ERC

Non Disponibile

Codici ASJC

Non Disponibile