(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2131-o2133 [ doi:10.1107/S1600536805017952 ]

9-(2,6-Dibromophenoxycarbonyl)-10-methylacridinium trifluoromethanesulfonate

A. Sikorski, K. Krzyminski, A. Konitz and J. Blazejowski

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 290 K
Mean (C-C) = 0.009 Å
R factor = 0.046
wR factor = 0.123
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT412_ALERT_2_B Short Intra XH3 .. XHn     H4     ..  H26D    ..       1.72 Ang.  
PLAT412_ALERT_2_B Short Intra XH3 .. XHn     H5     ..  H26A    ..       1.78 Ang.  

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         44 Perc. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    Br25   -   C23     ..       5.80 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C23     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        S27     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C31     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          9       

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   2 ALERT type 4 Improvement, methodology, query or suggestion