(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4804-o4806 [ doi:10.1107/S1600536806039754 ]

A non-linear optical chromophore: 2-[3-cyano-4-((E)-{5-[4-(diethylamino)styryl]thiophen-2-yl}vinyl)-5,5-dimethylfuran-2-(5H)-ylidene]propanedinitrile

T. L. Kinnibrugh, T. V. Timofeeva, O. Clot, A. Akelaitis and L. R. Dalton

Online 4 October 2006

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.054
wR factor = 0.128
Data-to-parameter ratio = 21.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C2     ...       1.42 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C25    ...       1.43 Ang. 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4     -   C26    ...       1.43 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check