(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o661-o662 [ doi:10.1107/S1600536802008590 ]

Weak C-HO hydrogen bonding and aromatic --stacking interactions in 1-(4-chlorophenyl)propan-1-one

P. J. Cox

Online 17 May 2002

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.004 Å
R factor = 0.039
wR factor = 0.086
Data-to-parameter ratio = 10.2

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           27.46                 
         From the CIF: _reflns_number_total               1292                  
         Count of symmetry unique reflns         1093                           
         Completeness (_total/calc)            118.21%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       199                           
         Fraction of Friedel pairs measured     0.182                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure