(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1489 [ doi:10.1107/S1600536811018484 ]

4-Acetyl-3-(p-anisyl)sydnone

H.-K. Fun, W.-S. Loh, Nithinchandra and B. Kalluraya

Online 25 May 2011

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
R factor = 0.052
wR factor = 0.155
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT430_ALERT_2_C Short Inter D...A Contact  O1A    ..  O1C     ..       2.89 Ang. 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600        127      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         55      
PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc)          1      

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........         16      
PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed ..          !
PLAT931_ALERT_5_G Check Twin Law ( 2 0  1)[       ] Estimated BASF       0.16      
PLAT931_ALERT_5_G Check Twin Law (       )[ 1 0  0] Estimated BASF       0.14      
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ..          10      

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

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