Acta Cryst. (2012). E68, o74-o75  [ doi:10.1107/S1600536811052548 ]

(1E,4E)-1-(3-Nitrophenyl)-5-phenylpenta-1,4-dien-3-one

S. Samshuddin, R. J. Butcher, M. Akkurt, B. Narayana, B. K. Sarojini and H. S. Yathirajan

Online 10 December 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.055
• wR factor = 0.128
• Data-to-parameter ratio = 19.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        524      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

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


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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