(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o525-o526 [ doi:10.1107/S1600536804004738 ]

Methyl (Z,Z)--(methoxyimino)-2-[({1-[3-(trifluoromethyl)phenyl]ethylidene}amino)oxymethyl]benzeneacetate

K. Banerjee, A. P. Ligon, M. Schürmann, H. Preut and M. Spiteller

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.004 Å
R factor = 0.034
wR factor = 0.069
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT241_ALERT_2_A Check High   U(eq) as Compared to Neighbors ....        F3'     
PLAT242_ALERT_2_A Check Low    U(eq) as Compared to Neighbors ....        C17     

Alert level B
PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low ....         36 Perc. 
PLAT241_ALERT_2_B Check High   U(eq) as Compared to Neighbors ....        F1'     

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        F2'     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         F3     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         F1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      44.00 Deg.  
              F2'  -C17  -F2      1.555   1.555   1.555                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C20 H19 F3 N2 O4                                                  

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