Acta Cryst. (2011). E67, o1069  [ doi:10.1107/S1600536811012190 ]

4-(5-Hydroxymethyl-2-methoxyphenoxy)benzoic acid

Y. Niu and B. Wu

Online 7 April 2011

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.003 Å
• R factor = 0.045
• wR factor = 0.141
• Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found




Alert level B
THETM01_ALERT_3_B  The value of sine(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5565
PLAT023_ALERT_3_B Resolution (too) Low [sin(theta)/Lambda < 0.6]..      23.30 Deg. 

Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C28     
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.556         39      

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        200 Deg. 
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        273 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        273 K    
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          59 Perc.

   0 ALERT level A = Most likely a serious problem - resolve or explain
   2 ALERT level B = A potentially serious problem, consider carefully
   3 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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