(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1481-o1482 [ doi:10.1107/S1600536803019755 ]

4-(2-Indanoxy)phthalonitrile

S. Isik, Y. Köysal, N. Akdemir, K. Cihan and E. Agar

Online 11 September 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.049
wR factor = 0.128
Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found




Alert level C
GOODF01_ALERT_2_C  The least squares goodness of fit parameter lies
            outside the range 0.80 <> 2.00
            Goodness of fit given =      0.639
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         40 Perc. 
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.80 mm    
PLAT128_ALERT_4_C Non-standard setting of Space group P21/c   ....    P21/a         
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C13    -   C17      =       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C16      =       1.43 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion