(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1745-o1747 [ doi:10.1107/S1600536804022093 ]

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

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

Online 18 September 2004

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
Disorder in solvent or counterion
R factor = 0.065
wR factor = 0.209
Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          2       

Alert level C
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for        N4'     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for       C21'     
PLAT244_ALERT_4_C Low  Solvent U(eq) as Compared to Neighbors  for         N4     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc. 
PLAT430_ALERT_2_C Short Inter D...A Contact  O6     ..  O6      ..       2.89 Ang.  

   0 ALERT level A = In general: serious problem
   1 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
   2 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
   4 ALERT type 4 Improvement, methodology, query or suggestion