Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?

An evaluation of the Bruker SMART X2S for the collection of crystallographic diffraction data, structure solution and refinement is carried out with a variety of materials with different electron densities, presenting some of the successes and challenges of automation in chemical crystallography.

[1]  Kevin S. Eccles,et al.  Does intermolecular SO⋯H–C–SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state? , 2010 .

[2]  D. M. Kelly,et al.  Crystal Polymorphs and Transformations of 2-Iodo-4-nitroaniline , 2010 .

[3]  Li-ling Ooi.  Principles of X-ray Crystallography , 2010 .

[4]  A. Slawin,et al.  Automated chemical crystallography. , 2010, Journal of the American Chemical Society.

[5]  A. Maguire,et al.  Synthesis of aryl benzyl NH-sulfoximines , 2009 .

[6]  Kun Jin,et al.  A highly efficient and widely functional-group-tolerant catalyst system for copper(I)-catalyzed S-arylation of thiols with aryl halides , 2009 .

[7]  G. Sheldrick,et al.  A comparison of a microfocus X‐ray source and a conventional sealed tube for crystal structure determination , 2009 .

[8]  M. S. Alexandre-Moreira,et al.  Synthesis and pharmacological evaluation of N-phenyl-acetamide sulfonamides designed as novel non-hepatotoxic analgesic candidates. , 2009, European journal of medicinal chemistry.

[9]  Richard J. Gildea,et al.  OLEX2: a complete structure solution, refinement and analysis program , 2009 .

[10]  G. Sheldrick.  A short history of SHELX. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[11]  Peter Müller,et al.  Crystal structure refinement : a crystallographer's guide to SHELXL , 2006 .

[12]  Brian McMahon,et al.  Definition and exchange of crystallographic data , 2005 .

[13]  Vishwakarma Singh,et al.  Synthesis and photoreactions of 3-oxa-tricyclo[5.2.2.01,5]undecenones: a novel, stereoselective route to oxa-triquinanes and oxa-sterpuranes , 2002 .

[14]  E. Eikenberry,et al.  Charge-coupled device area x-ray detectors , 2002 .

[15]  Kristin Kirschbaum,et al.  λ/2 Contamination in charge‐coupled‐device area‐detector data , 1997 .

[16]  H. Takada,et al.  Chiral Bis(oxazoline)-copper Catalyzed Enantioselective Imidation of Sulfides , 1997 .

[17]  H. Flack,et al.  On enantiomorph‐polarity estimation , 1983 .