(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o246-o247 [ doi:10.1107/S1600536804001102 ]

4-[(4-Methylphenyl)diazenyl]-6-methoxy-2-{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa-3,5-dien-1(2H)-one

B. Kosar, Ç. Albayrak, M. Odabasoglu and O. Büyükgüngör

Online 23 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.071
wR factor = 0.173
Data-to-parameter ratio = 12.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact  C2B    ..  C5B      =       3.01 Ang.  

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.137
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.14       
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         43 Perc. 
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.43 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.98 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      16.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       

   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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion