Acta Cryst. (2005). E61, o2750-o2752  [ doi:10.1107/S1600536805023792 ]

2-Amino-5-[4-(octylamino)phenyl]cyclohepta-2,4,6-trien-1-one

K. Kubo, T. Matsumoto, K. Katahira and A. Mori

Online 30 July 2005

Key indicators

• Single-crystal X-ray study
• T = 123 K
• Mean (C-C) = 0.004 Å
• R factor = 0.071
• wR factor = 0.202
• Data-to-parameter ratio = 16.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         45 Perc. 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.49       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.29       
PLAT420_ALERT_2_C D-H Without Acceptor       N1     -   H2     ...          ?       

   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

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

Copyright © International Union of Crystallography
IUCr Webmaster