Acta Cryst. (2006). E62, o1112-o1113  [ doi:10.1107/S1600536806005484 ]

Butyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

C.-N. Xia, W.-X. Hu and W. Zhou

Online 22 February 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.002 Å
• R factor = 0.068
• wR factor = 0.213
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    O3     -   C9      ..      11.66 su    
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C5     -   C6      ..       7.81 su    

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C3      ..       6.83 su    
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.32       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C13 H16 O4                                                        

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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