Acta Cryst. (2010). E66, o2911  [ doi:10.1107/S1600536810040213 ]

(1S,2R,8R)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3]dodec-10-en-9-one

A. Benharref, L. El Ammari and M. Berraho

Online 23 October 2010

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.004 Å
• R factor = 0.039
• wR factor = 0.094
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT915_ALERT_3_B Low Friedel Pair Coverage ......................      46.80 Perc.

Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C10    --  C11     ..       6.69 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C11    --  C14     ..       5.84 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C25    --  C26     ..       5.81 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C27     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         31      

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           28.24
           From the CIF: _reflns_number_total               5817
           Count of symmetry unique reflns         4062
           Completeness (_total/calc)            143.21%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured      1755
           Fraction of Friedel pairs measured     0.432
           Are heavy atom types Z>Si present        yes
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT791_ALERT_4_G Note: The Model has Chirality at C1     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C6     (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C7     (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C17    (Verify)          R      
PLAT791_ALERT_4_G Note: The Model has Chirality at C22    (Verify)          S      
PLAT791_ALERT_4_G Note: The Model has Chirality at C23    (Verify)          R      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   9 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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