(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o608-o609 [ doi:10.1107/S1600536803007311 ]

2-{[(2-Hydroxyphenyl)methyl]methylamino}-1-phenylpropan-1-ol

F. Yuan, Y.-Z. Li, C.-J. Zhu, Y. Pan and L.-L. Xu

Online 9 April 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.041
wR factor = 0.074
Data-to-parameter ratio = 14.0

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               2605                  
         Count of symmetry unique reflns         1557                           
         Completeness (_total/calc)            167.31%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured      1048                           
         Fraction of Friedel pairs measured     0.673                           
         Are heavy atom types Z>Si present           no                         
          ALERT: MoKa measured Friedel data cannot be used to                   
                 determine absolute structure in a light-atom                   
                 study EXCEPT under VERY special conditions.                    
                 It is preferred that Friedel data is merged in such cases.