(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o1089-o1090 [ doi:10.1107/S1600536801017548 ]

2-Picoline

A. D. Bond and J. E. Davies

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.062
wR factor = 0.181
Data-to-parameter ratio = 10.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.109                                                    

PLAT_302  Alert C Anion/Solvent Disorder .......................      12.00 Perc.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.46                 
         From the CIF: _reflns_number_total                749                  
         Count of symmetry unique reflns          762                           
         Completeness (_total/calc)             98.29%                          
         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           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.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check