Acta Cryst. (2010). E66, o2086-o2087  [ doi:10.1107/S1600536810028357 ]

2-Hydroxy-16-[(E)-4-methylbenzylidene]-13-(4-methylphenyl)-12-phenyl-1,11-diazapentacyclo[12.3.1.0^2,10.0^3,8.0^10,14]octadeca-3(8),4,6-triene-9,15-dione

R. S. Kumar, H. Osman, A. S. Abdul Rahim, J. H. Goh and H.-K. Fun

Online 24 July 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.047
• wR factor = 0.139
• Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H1N1   ...          ?      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         27      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         65      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C15     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C16     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C17     (Verify) ....          R      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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