Acta Cryst. (2003). E59, o1506-o1508  [ doi:10.1107/S1600536803019925 ]

Redetermination and comparative structural study of isopimpinellin: a new inhibitor against the Leishmania APRT enzyme

H. B. Napolitano, M. Silva, J. Ellena, W. C. Rocha, P. C. Vieira, O. H. Thiemann and G. Oliva

Online 18 September 2003

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.002 Å
• R factor = 0.044
• wR factor = 0.124
• Data-to-parameter ratio = 12.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C13 H10 O5                                                        

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 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
   0 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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