(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4960-o4962 [ doi:10.1107/S160053680604147X ]

3,5-Bis(2-fluorophenyl)-1-isopropyl-1,3,5-triazacyclohexane

S. Latreche, A. Bouchemma, S. Bouacida, H. Mousser and A. Mousser

Online 13 October 2006

Key indicators

Single-crystal X-ray study
T = 190 K
Mean (Wave) = 0.000 Å
R factor = 0.044
wR factor = 0.124
Data-to-parameter ratio = 9.2

checkCIF/PLATON results

No syntax errors found




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           27.57
           From the CIF: _reflns_number_total               1929
           Count of symmetry unique reflns         1966
           Completeness (_total/calc)             98.12%
           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

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check