(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o716-o717 [ doi:10.1107/S1600536804007500 ]

Diethyl trans-1,2-dicyanoethene-1,2-dicarboxylate at ca 150 K

M. I. Bruce, K. A Kramarczuk, B. W. Skelton and A. H. White

Online 9 April 2004

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.004 Å
R factor = 0.085
wR factor = 0.142
Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.814     0.999
            Tmin' and Tmax expected:      0.933     0.997
            RR' =      0.871
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.87       
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.65 mm    
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C11    ...       1.45 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   1 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
   0 ALERT type 4 Improvement, methodology, query or suggestion