Acta Cryst. (2013). E69, o313
[ doi:10.1107/S1600536813002493 ]

3-Acetoxy-19-hydroxy-⁵-pregnen-20-one

A. Meier zu Greffen, D. P. Kranz, J.-M. Neudörfl and H.-G. Schmalz

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.037
• wR factor = 0.079
• Data-to-parameter ratio = 9.9

checkCIF/PLATON results

No syntax errors found




Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............          1      
PLAT791_ALERT_4_G Note: The Model has Chirality at C3     (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C8     (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C9     (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C10    (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C13    (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C14    (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C17    (Verify)          S      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   0 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   9 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
   0 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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