(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o2397-o2398 [ doi:10.1107/S1600536806017946 ]

3-(2-Furyl)-1-(4-nitrophenyl)prop-2-en-1-one

P. S. Patil, J.B.-J. Teh, H.-K. Fun, I. A. Razak and S. M. Dharmaprakash

Online 19 May 2006

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.002 Å
R factor = 0.070
wR factor = 0.198
Data-to-parameter ratio = 35.2

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:      0.806     0.989
            Tmin(prime) and Tmax expected:      0.941     0.989
            RR(prime) =      0.857
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.86       
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.03       

   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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion