(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o2216
[ doi:10.1107/S1600536812027699 ]

5,6-Dimethyl-1,2,9,10-tetrahydropyrano[3,2-f]chromene-3,8-dione

S. K. Goswami, L. R. Hanton, C. J. McAdam, S. C. Moratti and J. Simpson

Key indicators

Single-crystal X-ray study
T = 92 K
Mean (C-C) = 0.001 Å
R factor = 0.050
wR factor = 0.148
Data-to-parameter ratio = 36.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          1      

Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A    ..  O2      ..       2.64 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        352      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check