(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o2108-o2110 [ doi:10.1107/S1600536806012542 ]

3-(4-Chlorophenyldiazenyl)-1-methyl-2-phenyl-1H-indole

Z. Seferoglu, T. Hökelek, E. Sahin and N. Ertan

Online 5 May 2006

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R factor = 0.108
wR factor = 0.205
Data-to-parameter ratio = 19.0

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACG01_ALERT_3_C  The value of the R factor is > 0.10
            R factor given   0.108
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT082_ALERT_2_C High R1 Value ..................................       0.11       
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       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C21 H16 Cl N3                                                     

   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
   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
   2 ALERT type 4 Improvement, methodology, query or suggestion