(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o140-o141
[ doi:10.1107/S1600536812051094 ]

rac-5''-(4-Fluorobenzylidene)-1'-(4-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1H)-dione

J. Suresh, R. A. Nagalakshmi, S. Sivakumar, R. R. Kumar and P. L. N. Lakshman

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.046
wR factor = 0.126
Data-to-parameter ratio = 19.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C74    --  C75     ..        5.1 su   
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C71    -C76           1.37 Ang. 
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -1.253      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C7      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C13     (Verify) ....          S      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         16      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   4 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

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