(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, m1382-m1383
[ doi:10.1107/S1600536812042468 ]

3'-Ferrocenylcarbonyl-1'-methyl-4'-phenylspiro[indeno[2,3-b]quinoxaline-11,2'-pyrrolidine]

B. Vijayakumar, D. Gavaskar, T. Srinivasan, R. Raghunathan and D. Velmurugan

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.038
wR factor = 0.105
Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C33     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C34     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -3.870      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in 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 C11     (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C16     (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C17     (Verify) ....          S      
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600         59      

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

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