Acta Cryst. (2011). E67, o485  [ doi:10.1107/S1600536811002601 ]

Methyl 3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalene-2-carboxylate (AHTN-COOMe)

P. Kuhlich, F. Emmerling, C. Piechotta and I. Nehls

Online 26 January 2011

Key indicators

• Single-crystal X-ray study
• T = 193 K
• Mean (C-C) = 0.002 Å
• Disorder in main residue
• R factor = 0.054
• wR factor = 0.152
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level G
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................      26.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         10      
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms ....          !

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 ALERT level C = Check and explain
   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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