(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o745-o746 [ doi:10.1107/S1600536802010206 ]

Ethyl 4-phenyl-2-(N-pyrrolyl)-1,3-thiazole-5-carboxylate

D. E. Lynch and I. McClenaghan

Online 14 June 2002

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.006 Å
R factor = 0.080
wR factor = 0.206
Data-to-parameter ratio = 13.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



RINTA_01  Alert B The value of Rint is greater than 0.15                        
          Rint given   0.171                                                    


 Alert Level C:



DIFMX_01  Alert C The maximum difference density is > 0.1*ZMAX*0.75             
          _refine_diff_density_max given =      1.258                           
          Test value =      1.200                                               

DIFMX_02  Alert C The minimum difference density is > 0.1*ZMAX*0.75             
          The relevant atom site should be identified.                          

PLAT_213  Alert C Atom C44     has ADP max/min Ratio ...........       3.10 prolate


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 3 Alert Level C = Please check