Acta Cryst. (2012). E68, o3392-o3393
[ doi:10.1107/S1600536812046776 ]

(2aR*,5S*,6aS*,8aS*,E)-Ethyl 5-hydroxy-7,7,8a-trimethyl-8-oxo-2,2a,6,6a,7,8,8a,8b-octahydro-1H-pentaleno[1,6-bc]oxepine-4-carboxylate

G. Mehta, C. S. A. Kumar and S. Sen

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.004 Å
• R factor = 0.053
• wR factor = 0.149
• Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         45 Perc.
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C6     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C4     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0042 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......     21.478      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      4.014      
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.063      

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C4      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          S      
PLAT961_ALERT_5_G Dataset Contains no Negative Intensities .......          !

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 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

   0 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
   5 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

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