Acta Cryst. (2011). E67, o1974  [ doi:10.1107/S1600536811026602 ]

exo-4-[(1H-Benzimidazol-2-yl)methyl]-10-oxa-4-azatricyclo[5.2.1.0^2,6]decane-3,5-dione

S.-K. Li, F. Zhang, T.-X. Lv and Q.-Y. Lin

Online 9 July 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.003 Å
• R factor = 0.035
• wR factor = 0.087
• Data-to-parameter ratio = 10.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         42      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           29.78
           From the CIF: _reflns_number_total               2159
           Count of symmetry unique reflns         2204
           Completeness (_total/calc)             97.96%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT792_ALERT_1_G Note: The Model has Chirality at C2     (Verify)          S      
PLAT792_ALERT_1_G Note: The Model has Chirality at C3     (Verify)          R      
PLAT792_ALERT_1_G Note: The Model has Chirality at C6     (Verify)          S      
PLAT792_ALERT_1_G Note: The Model has Chirality at C7     (Verify)          R      

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

   4 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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