Acta Cryst. (2009). E65, o2337  [ doi:10.1107/S1600536809034436 ]

N⁴,N⁸,3,6,9,10,11-Heptaphenyl-3,6,9,10,11-pentaazatricyclo[5.2.1.1^2,5]undecane-4,8-diamine

A. Taheri and S. M. Moosavi

Online 5 September 2009

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.007 Å
• R factor = 0.056
• wR factor = 0.121
• Data-to-parameter ratio = 8.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3     ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N7     -   H7     ...          ?      

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           28.00
           From the CIF: _reflns_number_total               4343
           Count of symmetry unique reflns         4382
           Completeness (_total/calc)             99.11%
           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
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          3      
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        400 Deg. 
PLAT791_ALERT_4_G The Model has Chirality at C1      (Verify) ....          R      
PLAT791_ALERT_4_G The Model has Chirality at C2      (Verify) ....          S      
PLAT791_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      
PLAT791_ALERT_4_G The Model has Chirality at C4      (Verify) ....          R      
PLAT791_ALERT_4_G The Model has Chirality at C5      (Verify) ....          S      
PLAT791_ALERT_4_G The Model has Chirality at C6      (Verify) ....          S      

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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   7 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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