(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o425-o427 [ doi:10.1107/S1600536803004598 ]

(5-Bromopyrrol-3-yl)cyclohexylmethanone

T. J. Emge, M. J. Clements, D. S. Myers and S. Knapp

Online 7 March 2003

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.023
wR factor = 0.056
Data-to-parameter ratio = 14.6

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level A:



ABSTM_01  Alert A The minimum transmission value cannot exceed the maximum      
          value                                                                 
          Value of T min given =     0.685 Value of Tmax given =     0.611      


 Alert Level C:



ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10     
          Tmin and Tmax reported:      0.685     0.611                          
          Tmin and Tmax expected:      0.515     0.685                          
          RR =      1.490                                                       
          Please check that your absorption correction is appropriate.          

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      1.121                            
          Tmax scaled      0.685 Tmin scaled      0.768                         


 1 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 1 Alert Level C = Please check