(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o202-o203 [ doi:10.1107/S1600536802001228 ]

Triisopropyl[5-(4-nitrophenyl)tetrahydrofuran-3-ylidenemethyl]silane

M. E. Light and M. B. Hursthouse

Online 31 January 2002

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.009 Å
R factor = 0.082
wR factor = 0.254
Data-to-parameter ratio = 13.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level B:



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.02                 
         From the CIF: _reflns_number_total               3107                  
         TEST2: Reflns within _diffrn_reflns_theta_max                          
         Count of symmetry unique reflns         3598                           
         Completeness (_total/calc)             86.35%                          
          Alert B: < 90% complete (theta max?)                                  


 Alert Level C:



RFACR_01  Alert C The value of the weighted R factor is > 0.25                  
          Weighted R factor given   0.254                                       

RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.103                                                    

PLAT_213  Alert C Atom C14     has ADP max/min Ratio ...........       3.30 prolate

PLAT_213  Alert C Atom C19     has ADP max/min Ratio ...........       3.40 prolate

PLAT_360  Alert C Short  C(sp3)-C(sp3) Bond  C(12)  -   C(14)  =       1.35 Ang.


 0 Alert Level A = Potentially serious problem

 1 Alert Level B = Potential problem

 5 Alert Level C = Please check