(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1799 [ doi:10.1107/S1600536811023890 ]

9-Ethyl-N-(3-nitrobenzylidene)-9H-carbazol-3-amine

R. Archana, E. Yamuna, K. J. Rajendra Prasad, A. Thiruvalluvar and R. J. Butcher

Online 25 June 2011

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.010 Å
R factor = 0.080
wR factor = 0.246
Data-to-parameter ratio = 7.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT340_ALERT_3_B Low Bond Precision on  C-C Bonds (x 1000) Ang ..         11      

Alert level C
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       7.45      
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        N3A     
PLAT334_ALERT_2_C Small Average Benzene  C-C Dist. C31A   -C36A          1.37 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          7      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         92      

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           73.60
           From the CIF: _reflns_number_total               3509
           Count of symmetry unique reflns         3613
           Completeness (_total/calc)             97.12%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present         no
PLAT072_ALERT_2_G SHELXL First  Parameter in WGHT Unusually Large.       0.13      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   1 ALERT level B = A potentially serious problem, consider carefully
   6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   2 ALERT level G = General information/check it is not something unexpected

   0 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
   4 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check