(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o256-o257 [ doi:10.1107/S1600536804000285 ]

4-(Anthracen-9-ylmethoxy)phthalonitrile

H. Petek, S. Isik, N. Akdemir, C. Kantar, E. Agar and I. Senel

Online 23 January 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.052
wR factor = 0.147
Data-to-parameter ratio = 13.1

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   0.146
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.15       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     -   C3       =       5.01 su    
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C3       =       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C4       =       1.43 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion