[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2011). E67, o2629  [ doi:10.1107/S1600536811036403 ]

1-Heptyl-1,3,6,8-tetraazatricyclo[4.3.1.13,8]undecan-1-ium iodide

A. Rivera, J. Sadat-Bernal, J. Ríos-Motta, K. Fejfarová and M. Dusek

Online 14 September 2011

Key indicators

checkCIF/PLATON results

No syntax errors found






Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          4      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5
Author Response: This concerns the last shell for d between 0.88 and 0.84. This last shell did not have full completeness because this would add too many additional frames to the experiment 
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        331      


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      
PLAT773_ALERT_2_G Check long C-C Bond in CIF: C14    --  C9      .       3.83 Ang. 
PLAT793_ALERT_4_G The Model has Chirality at N1      (Verify) ....          R      
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          !
PLAT931_ALERT_5_G Check Twin Law ( 0 0  1)[       ] Estimated BASF       0.06      
PLAT931_ALERT_5_G Check Twin Law (       )[ 1 0  4] Estimated BASF       0.06      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          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
   8 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
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   3 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster