Acta Cryst. (2006). E62, o4786-o4788  [ doi:10.1107/S1600536806039444 ]

2-[(4-Carboxycyclohexyl)methylammoniomethyl]-6-hydroxyphenolate

S. Shuja, S. Ali, N. Khalid, G. Labat and H. Stoeckli-Evans

Online 4 October 2006

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.049
• wR factor = 0.118
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.39 Ratio

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   0 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
   1 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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