(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o575 [ doi:10.1107/S1600536810004496 ]

6-Fluoro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline benzene hemisolvate

P. Szlachcic and K. Stadnicka

Online 10 February 2010

Key indicators

Single-crystal X-ray study
T = 293 K, P = 0.0 kPa
Mean (C-C) = 0.004 Å
R factor = 0.064
wR factor = 0.137
Data-to-parameter ratio = 16.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    F60    --  C6      ..       6.31 su   
PLAT331_ALERT_2_C Small Average Phenyl   C-C Dist. C101   -C103_a        1.37 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          8      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          5      
PLAT480_ALERT_4_C Long H...A H-Bond Reported H44    ..  F60     ..       2.58 Ang. 
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C16    ..  N2      ..      97.00 Deg. 

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    

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

   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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check