(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5386-o5387 [ doi:10.1107/S1600536806045223 ]

Ethyl 4-(2-amino-1-cyano-2-oxoethyl)-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxylate

S. V. Shishkina, O. V. Shishkin, I. V. Ukrainets and N. L. Bereznyakova

Online 3 November 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.056
wR factor = 0.164
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.65 Ratio
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         C9     

Alert level C
ABSMU01_ALERT_1_C  The ratio of given/expected absorption coefficient lies
               outside the range 0.99 <> 1.01
            Calculated value of mu =     0.094
            Value of mu given      =     0.090
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97      
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.88 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C2      ..       2.98 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2      

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check