Acta Cryst. (2004). E60, o833-o834  [ doi:10.1107/S1600536804008025 ]

rac-(1R,11S,12S)-12-Iodo-15-oxobicyclo[9.3.1]pentadecane-1-carboxylic acid ethyl ester

S. Fresu, M. Schürmann, H. Preut and P. Eilbracht

Online 24 April 2004

Key indicators

• Single-crystal X-ray study
• T = 291 K
• Mean (C-C) = 0.007 Å
• R factor = 0.040
• wR factor = 0.107
• Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.12 Ratio 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.34 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C17     
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C17    -   C18    ...       1.40 Ang.  

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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