(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o249-o250
[ doi:10.1107/S1600536812051550 ]

3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione

G.-Z. Chen, X.-Y. Wei, Y. Wang, L.-Q. Ren and X.-K. Li

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.055
wR factor = 0.126
Data-to-parameter ratio = 7.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT900_ALERT_1_A No Matching Reflection File Found ..............          !

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.12
            Rint given   0.123
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.971      
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.27      
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C14    --  C15     ..        5.5 su   
PLAT234_ALERT_4_C Large Hirshfeld Difference C17    --  C18     ..       0.16 Ang. 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C26     
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0062 Ang  

Alert level G
PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites ....          2      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT792_ALERT_1_G Note: The Model has Chirality at C5     (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 C8     (Verify)          R      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         13      

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

   7 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
   5 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check