Acta Cryst. (2011). E67, o1070-o1071  [ doi:10.1107/S1600536811012165 ]

2-(4-Methoxybenzyl)-4,6-diphenyl-2,5-diazabicyclo[2.2.2]oct-5-en-3-one

J. Alen, L. Dobrzanska, L. Van Meervelt and W. M. De Borggraeve

Online 7 April 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.039
• wR factor = 0.105
• Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        143      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         34      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        100 Deg. 
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C4      (Verify) ....          R      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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