Acta Cryst. (2012). E68, o121  [ doi:10.1107/S1600536811052755 ]

2-(2-Carboxyethyl)-1,3-dioxoisoindoline-5,6-dicarboxylic acid methanol monosolvate

S. Khorasani and M. A. Fernandes

Online 14 December 2011

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.042
• wR factor = 0.093
• Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....        2.1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00030 Ang. 
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00200 Deg. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O3     ..  C1      ..       2.99 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O6     ..  C7      ..       2.90 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O8     ..  C7      ..       2.97 Ang. 

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   6 ALERT level G = General information/check it is not something unexpected

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   1 ALERT type 5 Informative message, check

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