Acta Cryst. (2012). E68, o231  [ doi:10.1107/S1600536811054420 ]

3-Cyclopropyl-1-(4-methylphenylsulfonyl)piperidine-3,5-diol

Y. Wang and Y.-Y. Lin

Online 23 December 2011

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.005 Å
• R factor = 0.069
• wR factor = 0.128
• Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H3B    ..  H4      ..       2.09 Ang. 

Alert level C
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0049 Ang  

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C11     (Verify) ....          R      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          83 Perc.
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   1 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

   0 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
   2 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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