(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o558-o560 [ doi:10.1107/S1600536803006366 ]

4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione

X.-D. Guo, C.-Z. Liao, L. Ma and L.-Q. Gu

Online 31 March 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.053
wR factor = 0.148
Data-to-parameter ratio = 9.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.31                 
         From the CIF: _reflns_number_total               3275                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3515                           
         Completeness (_total/calc)             93.17%                          
          Alert C: < 95% complete                                               

PLAT_213  Alert C Atom O4A     has ADP max/min Ratio ...........       3.40 prolate

PLAT_369  Alert C Long   C(sp2)-C(sp2) Bond  C(8B)  -   C(9B)  =       1.54 Ang.

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           28.31                 
         From the CIF: _reflns_number_total               3275                  
         Count of symmetry unique reflns         3515                           
         Completeness (_total/calc)             93.17%                          
         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

 3 Alert Level C = Please check