Acta Cryst. (2010). E66, o916  [ doi:10.1107/S1600536810010342 ]

3,3'-Bithiophene

J. C. S. Costa, L. R. Gomes, L. M. N. B. F. Santos and J. N. Low

Online 24 March 2010

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.002 Å
• Disorder in main residue
• R factor = 0.039
• wR factor = 0.101
• Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    S1     --  C5      ..       7.47 su   

Alert level C
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C2     -   C3     ...       1.38 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................      29.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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