(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o121-o123 [ doi:10.1107/S1600536802023693 ]

(1E,3S,4aR,12aR)-3-Isopropenyl-8-methoxy-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone oxime

H. Kooijman and A. L. Spek

Online 10 January 2003

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.007 Å
R factor = 0.057
wR factor = 0.156
Data-to-parameter ratio = 8.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes



REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.42                 
         From the CIF: _reflns_number_total               3787                  
         Count of symmetry unique reflns         3825                           
         Completeness (_total/calc)             99.01%                          
         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.