Acta Cryst. (2012). E68, o207  [ doi:10.1107/S1600536811054225 ]

3-[(E)-2-Phenylethenyl]-1H-indole-6-carbonitrile

Y.-H. Ge, D.-E. Wu and Y.-H. Luo

Online 21 December 2011

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.038
• wR factor = 0.127
• Data-to-parameter ratio = 13.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ...          1      
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          1      

Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5A    ..  N2      ..       2.66 Ang. 
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          1      
PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S .      26.63      

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    
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C6     -   C8     ...       1.43 Ang. 
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          63 Perc.

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

   2 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
   5 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

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