Acta Cryst. (2010). E66, o871-o872  [ doi:10.1107/S1600536810009554 ]

5,11,17,23-Tetrabromo-25,26,27,28-tetrakis(4-tolylsulfonyloxy)-2,8,14,20-tetrathiacalix[4]arene dichloromethane solvate

Y.-F. Chen, Y. Liu, J.-P. Ma and D.-S. Guo

Online 20 March 2010

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.006 Å
• R factor = 0.040
• wR factor = 0.107
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT431_ALERT_2_B Short Inter HL..A Contact  Br2    ..  O1      ..       2.97 Ang. 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.35 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.79 Ratio
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  O2      ..       3.18 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  Br3    ..  C28     ..       3.30 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          3      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors of         C53     
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          2      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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