(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o243
[ doi:10.1107/S1600536813000937 ]

rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone

K. A. Potekhin, R. K. Askerov, K. E. Hajiyeva, N. A. Gadirova and S. I. Nazarov

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.003 Å
R factor = 0.057
wR factor = 0.151
Data-to-parameter ratio = 18.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      8.437      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ...............    -0.0029      
PLAT923_ALERT_1_C S    values in the CIF and FCF Differ by .......     -0.020      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C4      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          S      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         10      

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

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