(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1115-o1117 [ doi:10.1107/S1600536805008858 ]

Ethyl 6-amino-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylate

Y.-L. Li, X.-S. Wang, Z.-S. Zeng, D.-Q. Shi, X.-Y. Wei and Z.-M. Zong

Online 25 March 2005

Key indicators

Single-crystal X-ray study
T = 289 K
Mean (C-C) = 0.003 Å
R factor = 0.044
wR factor = 0.110
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ......       3.00 Sigma 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.74 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for       C15'     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc. 
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         33     
            C1  -C2  -C13 -N2   -154.00  4.00   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         34     
            C3  -C2  -C13 -N2     31.00  4.00   1.555   1.555   1.555   1.555   
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      22.20 Deg.  
              C15  -O2   -C15'    1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion