(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o166
[ doi:10.1107/S160053681205129X ]

2,6-Dimethylphenyl acridine-9-carboxylate

D. Trzybinski, M. Wera, K. Krzyminski and J. Blazejowski

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.003 Å
R factor = 0.057
wR factor = 0.151
Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      9.975      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.254      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          8      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C25     
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          35 Perc.

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

   0 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
   4 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