(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2209-o2210 [ doi:10.1107/S1600536805019112 ]

2,5-Dibenzoyl-1,4-phenylenediamine

H.-J. Zhu, D.-D. Wang, G.-L. Song, J.-T. Wang and K.-L. Wang

Online 24 June 2005

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R factor = 0.054
wR factor = 0.151
Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT031_ALERT_4_B Refined Extinction Parameter within Range ......       2.47 Sigma 

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         40 Perc. 
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT128_ALERT_4_C Non-standard setting of Space group Pbca    ....    Pcab          
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT420_ALERT_2_C D-H Without Acceptor       N      -   H3     ...          ?       
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  O       ..       2.61 Ang.  

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