Acta Cryst. (2009). E65, o1724  [ doi:10.1107/S1600536809024416 ]

N³,N⁶,2,5,7-Pentaphenyl-2,5,7-triazabicyclo[2.2.1]heptane-3,6-diamine

A. Taheri and S. M. Moosavi

Online 1 July 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.072
• Data-to-parameter ratio = 8.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N31    -   H31N   ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N61    -   H61N   ...          ?      

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           26.38
           From the CIF: _reflns_number_total               3131
           Count of symmetry unique reflns         3153
           Completeness (_total/calc)             99.30%
           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
PLAT791_ALERT_4_G The Model has Chirality at C1      (Verify) ....          R      
PLAT791_ALERT_4_G The Model has Chirality at C3      (Verify) ....          R      
PLAT791_ALERT_4_G The Model has Chirality at C4      (Verify) ....          R      
PLAT791_ALERT_4_G The Model has Chirality at C6      (Verify) ....          R      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   5 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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