(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o870 [ doi:10.1107/S1600536812007015 ]

1-Formyl-c-3,t-3-dimethyl-r-2,c-6-diphenylpiperidin-4-one

K. Ravichandran, P. Sakthivel, P. Ramesh, S. Ponnuswamy and M. N. Ponnuswamy

Online 29 February 2012

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.042
wR factor = 0.125
Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         42      

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 C2      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C6      (Verify) ....          S      
PLAT981_ALERT_1_G No non-zero f" Anomalous Scattering Values Found          ?

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   1 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   7 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
   0 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check