Acta Cryst. (2012). E68, o102  [ doi:10.1107/S160053681105272X ]

3,14-Dimethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12]docosane-(naphthalen-1-yl)methanol (1/2)

J.-H. Choi, M. A. Subhan, K. S. Ryoo and S. W. Ng

Online 14 December 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.049
• wR factor = 0.126
• Data-to-parameter ratio = 17.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H2N    ...          ?      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        144      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          6      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00400 Deg. 
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C9      (Verify) ....          R      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      

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

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

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