(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o1013-o1015 [ doi:10.1107/S1600536806004685 ]

Bis(9-ethylcarbazol-3-yl)methane

E. Asker and J. Masnovi

Online 15 February 2006

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.005 Å
R factor = 0.041
wR factor = 0.099
Data-to-parameter ratio = 6.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       

Alert level C
REFLT03_ALERT_1_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           25.07
           From the CIF: _diffrn_reflns_theta_full          25.07
           From the CIF: _reflns_number_total               1884
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1984
           Completeness (_total/calc)             94.96%
PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) .....       6.73       
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C12     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C29 H26 N2                                                        

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           25.07
           From the CIF: _reflns_number_total               1884
           Count of symmetry unique reflns         1984
           Completeness (_total/calc)             94.96%
           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

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   1 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
   3 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion