(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1290-o1291 [ doi:10.1107/S1600536804015661 ]

3-(4-Methoxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one

Z. Yu, X. Gu, B. Zhao and Y. Li

Online 9 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.050
wR factor = 0.127
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.88 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.35 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C4     
PLAT415_ALERT_2_C Short Inter D-H..H-X       H1     ..  H23     ..       2.12 Ang.  
PLAT430_ALERT_2_C Short Inter D...A Contact  O3     ..  O3      ..       2.86 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion