(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o153-o154 [ doi:10.1107/S1600536803029271 ]

Diethyl phenyl(4-pyridylcarbonylamino)methylphosphonate

H. Fang, J.-F. Wang, X.-X. Liu, Y.-F. Zhao and S. W. Ng

Online 10 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.072
wR factor = 0.207
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.69 Ratio 

Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.97       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.71 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    P1     -   O4       =       5.99 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         P1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C14     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          6       
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C14    -   C15      =       1.42 Ang.  
PLAT764_ALERT_4_C Overcomplete CIF Bond list Detected (Rep/Expd) .       1.36 Ratio 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 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
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion