(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o885-o887 [ doi:10.1107/S1600536806003175 ]

Ethyl 9-dicyanomethylene-2,5,7-trinitrofluorene-4-carboxylate

A. S. Batsanov and I. F. Perepichka

Online 3 February 2006

Key indicators

Single-crystal X-ray study
T = 110 K
Mean (C-C) = 0.007 Å
R factor = 0.067
wR factor = 0.172
Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.126
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.13       
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         49 Perc. 
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C15    ...       1.45 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C16    ...       1.44 Ang.  
PLAT430_ALERT_2_C Short Inter D...A Contact  O1     ..  N15     ..       2.90 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  N15    ..  C2      ..       3.03 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   9 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion