(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o305
[ doi:10.1107/S1600536813002055 ]

Phenyl acridine-9-carboxylate

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

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
R factor = 0.073
wR factor = 0.203
Data-to-parameter ratio = 12.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C15     
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........    <I>CG</     
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........    <I>CG</     
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.202      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          5      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.11      

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

   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check