(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, o1902-o1903 [ doi:10.1107/S1600536807013189 ]

Ethyl 8,13-dioxo-8,13-dihydrobenz[5,6]indolo[2,1-a]isoquinoline-14-carboxylate

Y. Liu, J.-H. Xu, M. M. Rosli and H.-K. Fun

Online 28 March 2007

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.001 Å
R factor = 0.044
wR factor = 0.127
Data-to-parameter ratio = 23.0

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.725     0.978
            Tmin(prime) and Tmax expected:      0.949     0.977
            RR(prime) =      0.763
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.76      
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) .....         10 Ang. 
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) .         10 Ang. 
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)         100 Deg. 
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          6      
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C11    -C20           1.45 Ang. 

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check