Acta Cryst. (2006). E62, o957-o959  [ doi:10.1107/S1600536806004016 ]

A monoclinic polymorph of 25,27-bis(benzyloxy)-26,28-dihydroxycalix[4]arene

M. Bolte

Online 8 February 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.002 Å
• R factor = 0.053
• wR factor = 0.145
• Data-to-parameter ratio = 23.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C63     

Alert level C
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.35 Ratio 
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C61     

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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

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