(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o881-o882 [ doi:10.1107/S1600536803011012 ]

2(R)-Hydroxy-4-(4-methoxybenzoyl)-2-methoxycarbonylmethyl-5-(4-methoxyphenyl)-1-(2-methylphenyl)-2,3-dihydro-1H-3-pyrrolone

S. Öztürk, M. Saçmaci, S. H. Üngören, M. Akkurt, H.-K. Fun and Y. Akçamur

Online 31 May 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.078
wR factor = 0.257
Data-to-parameter ratio = 16.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.30                 
         From the CIF: _reflns_number_total               5384                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         5855                           
         Completeness (_total/calc)             91.96%                          
          Alert C: < 95% complete                                               

RFACR_01  Alert C The value of the weighted R factor is > 0.25                  
          Weighted R factor given   0.257                                       

PLAT_213  Alert C Atom C14     has ADP max/min Ratio ...........       3.40 prolate


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 3 Alert Level C = Please check