(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o804-o805 [ doi:10.1107/S1600536805005581 ]

8,9-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione

J.-K. Qin, C.-Z. Liao, Y.-T. Wang, X.-Z. Bu, Z.-S. Huang and L.-Q. Gu

Online 4 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.040
wR factor = 0.126
Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT333_ALERT_2_C Large Average Benzene C-C Dist.  C8     -C14           1.45 Ang.  
PLAT335_ALERT_2_C Large Benzene C-C Range          C8     -C14           0.20 Ang.  
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C11    -   C12    ...       1.56 Ang.  
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C18     
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C17     

   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

   1 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
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion