Acta Cryst. (2011). E67, o248  [ doi:10.1107/S1600536810053626 ]

e,e-trans-Cyclohexane-1,4-carboxylic acid-hexamethylenetetramine (1/2)

A. Lemmerer

Online 8 January 2011

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.040
• wR factor = 0.113
• Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.42      
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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