Acta Cryst. (2012). E68, o204  [ doi:10.1107/S1600536811053803 ]

2,9,10-Trimethoxydibenzo[b,d]oxepin-7(6H)-one

Y.-J. Hou, S.-L. Song, W.-Y. Chu and Z.-Z. Sun

Online 21 December 2011

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.002 Å
• R factor = 0.044
• wR factor = 0.127
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     --  C13     ..        5.4 su   
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          4      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         26      

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
   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
   1 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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