Acta Cryst. (2008). E64, o2193  [ doi:10.1107/S1600536808028407 ]

5-(2-Phenylethynyl)isobenzofuran-1,3-dione

M.-J. Yang, J. Men, X.-Y. Ma, S.-X. Yi and G.-W. Gao

Online 25 October 2008

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.005 Å
• R factor = 0.065
• wR factor = 0.158
• Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C10    --  C11     ..       8.26 su   

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     --  C9      ..       5.59 su   
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          5      
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C7     -   C9     ...       1.42 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11    ...       1.43 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C16 H8 O3                                                        

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 5 Informative message, check

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