(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o968-o970 [ doi:10.1107/S1600536801015240 ]

L-Phenylalaninium maleate

M. Alagar, R. V. Krishnakumar and S. Natarajan

Online 29 September 2001

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.028
wR factor = 0.078
Data-to-parameter ratio = 7.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           67.92                 
         From the CIF: _reflns_number_total               1353                  
         Count of symmetry unique reflns         1352                           
         Completeness (_total/calc)            100.07%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured         1                           
         Fraction of Friedel pairs measured     0.001                           
         Are heavy atom types Z>Si present           no                         
          Please check that the estimate of the number of Friedel pairs is      
          correct. If it is not, please give the correct count in the           
          _publ_section_exptl_refinement section of the submitted CIF.