Acta Cryst. (2012). E68, o3375
[ doi:10.1107/S160053681204648X ]

2-Hydroxy-5-[(E)-2-methylbenzylidene]-8-(2-methylphenyl)-9-phenyl-3,10-diazahexacyclo[10.7.1.1^3,7.0^2,11.0^7,11.0^16,20]henicosa-1(20),12,14,16,18-pentaen-6-one

A. I. Almansour, R. S. Kumar, N. Arumugam, H. Osman and J. Suresh

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.054
• wR factor = 0.137
• Data-to-parameter ratio = 21.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.461      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          1      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT793_ALERT_4_G The Model has Chirality at C4      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C6      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          R      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         28      

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

   2 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
   6 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster