(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1331-o1332 [ doi:10.1107/S1600536811016655 ]

2-[(E)-(2,4-Dihydroxybenzylidene)azaniumyl]-3-phenylpropanoate

H. Bahron, F. M. Fadzel, K. Kassim, M. Hemamalini and H.-K. Fun

Online 7 May 2011

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.001 Å
R factor = 0.043
wR factor = 0.125
Data-to-parameter ratio = 29.7

checkCIF/PLATON results

No syntax errors found




Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.32      
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O2     -   H1O2   ...       1.03 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          2      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         42      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          3      
PLAT793_ALERT_4_G The Model has Chirality at C8      (Verify) ....          S      

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

   0 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check