(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2301-o2302
[ doi:10.1107/S1600536812029212 ]

1-(2-Chlorobenzyl)-3,5-dimethyl-2,6-diphenylpiperidine

C. Ramalingan, S. W. Ng and E. R. T. Tiekink

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R factor = 0.050
wR factor = 0.125
Data-to-parameter ratio = 19.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          6      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          7      

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 ..........    0.00060 Ang. 
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C16     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C18     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C20     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C34     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C42     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C44     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C46     (Verify) ....          S      

   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
  10 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check