(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2013). E69, o256-o257
[ doi:10.1107/S1600536813001177 ]

5''-(4-Methoxybenzylidene)-1'-(4-methoxyphenyl)-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) = 0.005 Å
R factor = 0.066
wR factor = 0.183
Data-to-parameter ratio = 13.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0053 Ang  
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ......      2.621      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.598         32      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          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      
PLAT153_ALERT_1_G The su's on the Cell Axes   are Equal ..........    0.00500 Ang. 
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      
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          !
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          36 Perc.
PLAT931_ALERT_5_G Check Twin Law ( 0 0  1)[       ] Estimated BASF       0.12      

   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
  12 ALERT level G = General information/check it is not something unexpected

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