Acta Cryst. (2006). E62, o1501-o1503  [ doi:10.1107/S1600536806008300 ]

1,6,12,15,18,23,25,41,45,57-Decakis(trifluoromethyl)-1,6,12,15,18,23,25,41,45,57-decahydro(C₆₀-I_h)[5,6]fullerene

I. E. Kareev, S. F. Lebedkin, A. A. Popov, S. M. Miller, O. P. Anderson, S. H. Strauss and O. V. Boltalina

Online 22 March 2006

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.003 Å
• R factor = 0.047
• wR factor = 0.129
• Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found






Alert level B
PLAT213_ALERT_2_B Atom F23     has ADP max/min Ratio .............       4.30 prolat
PLAT431_ALERT_2_B Short Inter HL..A Contact  F23    ..  F42     ..       2.57 Ang.  

Alert level C
PLAT040_ALERT_1_C No H-atoms in this Carbon Containing Compound ..          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       2.67 Ratio 
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.19       

Alert level G
CHEMS02_ALERT_1_G  Please check that you have entered the correct
            _publ_requested_category classification of your compound;
            FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
            FO or CO or EO for organic.
            From the CIF: _publ_requested_category   EO
            From the CIF: _chemical_formula_sum:C70 F30

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing

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