(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1606-o1608 [ doi:10.1107/S1600536804020586 ]

Methyl 2-amino-4-(4-methylphenyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]quinoline-3-carboxylate dimethylformamide solvate

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

Online 28 August 2004

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.003 Å
Disorder in solvent or counterion
R factor = 0.054
wR factor = 0.170
Data-to-parameter ratio = 14.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.03       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.53 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C16     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for         N3     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        C22     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        N3'     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for       C22'     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc. 

   0 ALERT level A = In general: serious problem
   0 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   5 ALERT type 4 Improvement, methodology, query or suggestion