(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o726-o727 [ doi:10.1107/S160053680300895X ]

Zwitterionic 2-(methylamino)ethanesulfonic acid

J. A. Kalaitzis, P. de. Almeida Leone, R. J. Quinn and P. C. Healy

Online 30 April 2003

Key indicators

Single-crystal X-ray study
T = 295 K
R factor = 0.031
wR factor = 0.085
Data-to-parameter ratio = 11.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.50                 
         From the CIF: _reflns_number_total                820                  
         Count of symmetry unique reflns          820                           
         Completeness (_total/calc)            100.00%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         0                           
         Fraction of Friedel pairs measured     0.000                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure