(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o1121-o1122 [ doi:10.1107/S1600536806005745 ]

(E,E)-1,8-Dioxacyclotetradeca-3,10-diene-2,9-dione

B. Samas, D. A. Pflum and R. W. Coscia

Online 22 February 2006

Key indicators

Single-crystal X-ray study
T = 301 K
Mean (C-C) = 0.002 Å
R factor = 0.042
wR factor = 0.123
Data-to-parameter ratio = 17.6

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:      0.754     0.984
            Tmin(prime) and Tmax expected:      0.952     0.984
            RR(prime) =      0.792
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.79       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A    ..  O1      ..       2.67 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
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion