(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1358-o1359 [ doi:10.1107/S160053680401685X ]

3-(3,4-Methylenedioxyphenyl)-1-phenyl-3-(p-toluenesulfonylamino)propan-1-one

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

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.062
wR factor = 0.147
Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc. 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.93 Ratio 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.48 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.60 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.82 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O4     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C19     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C42     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C17     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C20     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C40     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C43     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       

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

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