(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o951-o952 [ doi:10.1107/S1600536806003199 ]

6-Methyl-2-[2,2,6,6-tetramethyl-5-(2-pyridyl)hepta-3,4-dien-3-yl]pyridine

J. Averbeck, M. Schürmann, H. Preut and N. Krause

Online 8 February 2006

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.002 Å
R factor = 0.043
wR factor = 0.110
Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         42 Perc. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     -   C3      ..       5.54 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     -   C10     ..       5.75 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C17    -   C18     ..       5.81 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C21    -   C22     ..       6.90 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C22    -   C23     ..       6.93 su    
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C7     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     

   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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion