Acta Cryst. (2006). E62, o4952-o4954  [ doi:10.1107/S1600536806041262 ]

A tripyridylthioether macrocycle: (14,17-dithia-22,23,24-triazatetracyclo[16.3.1.1^3,7.1^9,13]tetracosa-1(22),3,5,7(24),9,11,13(23),18,20-nonaene-2,8-dione

M. C. Poole, F. R. Fronczek, G. R. Newkome and S. F. Watkins

Online 13 October 2006

Key indicators

• Single-crystal X-ray study
• T = 110 K
• Mean (C-C) = 0.002 Å
• R factor = 0.043
• wR factor = 0.108
• Data-to-parameter ratio = 34.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?

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

   1 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
   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

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