Acta Cryst. (2011). E67, o2108  [ doi:10.1107/S1600536811028972 ]

14-Methoxy-2,16-dioxapentacyclo[7.7.5.0^1,21.0^3,8.0^10,15]henicosa-3(8),10,12,14-tetraene-7,20-dione

W. Lu, C. Lian, Y. Yang and Y. Zhu

Online 23 July 2011

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.057
• wR factor = 0.162
• Data-to-parameter ratio = 16.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C11    --  C12     ..        6.3 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         50      

Alert level G
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum ....          ?
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C6      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         13      

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

   1 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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