(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2374-o2375 [ doi:10.1107/S1600536805020659 ]

2,6-Dibenzyl-8b,8c-diphenyl-2,3a,4a,6,7a,8a-hexaazaperhydrocyclopenta[def]fluorene-4,8-dione

Y.-T. Li, T. Long and A.-X. Wu

Online 6 July 2005

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.005 Å
R factor = 0.063
wR factor = 0.151
Data-to-parameter ratio = 13.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.66 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N4     -   C10     ..       5.02 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N5     -   C11     ..       6.53 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C21    -   C22     ..       5.69 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C30    -   C31     ..       5.33 su    
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C20    -C25           1.37 Ang.  
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       

   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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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