(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o479-o480 [ doi:10.1107/S1600536804004210 ]

Dimethyl 3-benzoyl-7-(N,N-dimethylamino)indolizine-1,2-dicarboxylate

R. Hema, V. Parthasarathi, K. Ravikumar, K. Sarkunam and M. Nallu

Online 6 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.045
wR factor = 0.134
Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94       
PLAT230_ALERT_2_B Hirshfeld Test Diff for    N23    -   C25     ..       8.93 su    

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           28.00
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               4265
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         4511
           Completeness (_total/calc)             94.55%
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.69 Ratio 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H123   ..  CG1     ..       2.93 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H243   ..  CG2     ..       2.79 Ang.  

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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion