How to elucidate single crystal structural data? What are the parameters or features taken into consideration while dealing single crystal data for publication in reputed journals? I am a pharmacist and would like to learn basics of crystallography and structure elucidation. Please do provide useful suggestions.
You can go through these two books that will give you the fundamental concept and ideas regarding the single crystal structural data analysis.
1) Crystal Structure analysis for chemists and biologists By Glusker, Lewis and Rossi
2) X-Ray Structure Determination: A Practical Guide By Stout and Jenson
My advice would be to either attend a crystallographic workshop or go and introduce yourself to the nearest crystallographer and explain that you would like to learn, I am sure they will help set you on the right track. In my experience, structure elucidation is best learned practically although as suggested above both books provide excellent basics and background reading.
There's also an excellent book Crystal Structure Refinement by Peter Muller concerning the use of SHELXL. Although, it looks tough at first it's a really good resource of the commands needed to solve structures and helps to highlight some of the more common ways of dealing with disorder. As Melanie mentions the best way to learn is just to get stuck in and do it.
I would suggest Christopher Hammonds book "The basics of crystallography and diffraction" although Stout & Jensen is a good book to start with but it is 40 years old.
I would normally recommend W. Clegg's introductory book "Crystal Structure Determination" (ISBN: 978-0-19-855901-6), but it's quite old now. However, a second edition ("X-Ray Crystallography", ISBN: 978-0-19-870097-5) is due to appear in May 2015. It should be worth waiting for: see http://tinyurl.com/n3l5yyx.
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