(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4972-o4974 [ doi:10.1107/S1600536806041900 ]

Ethyl 2-bromo-3-(1-phenylsulfonyl-1H-indol-3-yl)acrylate

G. Senthil Kumar, K. Chinnakali, R. Balamurugan, A. K. Mohanakrishnan and H.-K. Fun

Online 13 October 2006

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.036
wR factor = 0.089
Data-to-parameter ratio = 26.9

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.441     0.631
            Tmin and Tmax expected:      0.353     0.596
            RR =      1.179
            Please check that your absorption correction is appropriate.
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.18      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.94      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.945
            Tmax scaled      0.596 Tmin scaled      0.417

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

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