Acta Cryst. (2011). E67, o174  [ doi:10.1107/S1600536810051883 ]

rac-Ammonium cis-2-carboxycyclohexane-1-carboxylate

G. Smith and U. D. Wermuth

Online 18 December 2010

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean (C-C) = 0.004 Å
• R factor = 0.058
• wR factor = 0.141
• Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          S      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   2 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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