1,6,11,18,24,27,52,55-Octa­kis(trifluoro­meth­yl)-1,6,11,18,24,27,52,55-octa­hydro­(C₆₀-I_h)[5,6]fullerene

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.004 Å
• R factor = 0.052
• wR factor = 0.123
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C63

Alert level C
DIFMN02_ALERT_2_C  The minimum difference density is < -0.1*ZMAX*0.75
            _refine_diff_density_min given =     -0.680
            Test value =     -0.675
DIFMN03_ALERT_1_C  The minimum difference density is < -0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT040_ALERT_1_C No H-atoms in this Carbon Containing Compound ..          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT098_ALERT_2_C Minimum (Negative) Residual Density ............      -0.68 e/A   3
PLAT213_ALERT_2_C Atom F5      has ADP max/min Ratio .............       3.40 prolat
PLAT213_ALERT_2_C Atom F6      has ADP max/min Ratio .............       3.40 prolat
PLAT213_ALERT_2_C Atom F7      has ADP max/min Ratio .............       3.80 prolat
PLAT213_ALERT_2_C Atom F8      has ADP max/min Ratio .............       3.80 prolat
PLAT213_ALERT_2_C Atom F9      has ADP max/min Ratio .............       3.40 prolat
PLAT220_ALERT_2_C Large Non-Solvent    F     Ueq(max)/Ueq(min) ...       3.47 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C62
PLAT432_ALERT_2_C Short Inter X...Y Contact  F8     ..  C60     ..       2.93 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  F24    ..  C33     ..       2.95 Ang.

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:C68 F24

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  12 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