(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2001). E57, o9-o10 [ doi:10.1107/S1600536800018766 ]

4-Nitrophenanthrene

M. R. Taylor and M. J. Thompson

Key indicators

Single-crystal X-ray study
T = 168 K
Mean (C-C) = 0.002 Å
R factor = 0.049
wR factor = 0.110
Data-to-parameter ratio = 10.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



ABSMU_01  Alert C The ratio of given/expected absorption coefficient lies       
          outside the range 0.99 <> 1.01                                        
          Calculated value of mu =     0.096                                    
          Value of mu given      =     0.100                                    

ABSTM_02  Alert C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90    
          Tmin and Tmax reported:      0.780     0.980                          
          Tmin' and Tmax expected:      0.929     0.974                         
          RR' =      0.834                                                      
          Please check that your absorption correction is appropriate.          


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check