Acta Cryst. (2005). E61, o2340-o2342  [ doi:10.1107/S1600536805020325 ]

7a-O-Methyldeguelol

S. Chantrapromma, H.-K. Fun, Y. Pullaput, H. Wongtap, S. Dejmanee and K. Chantrapromma

Online 6 July 2005

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.084
• wR factor = 0.199
• Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT242_ALERT_2_A Check Low       Ueq as Compared to Neighbors for        C16     

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.90 Ratio 
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.65 Ratio 
PLAT241_ALERT_2_B Check High      Ueq as Compared to Neighbors for        C22     

Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.11       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C14B     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O6A     

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     

PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O6B     

PLAT301_ALERT_3_C Main Residue  Disorder .........................      14.00 Perc. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      44.20 Deg.  
              C22  -O6A  -H22F    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.60 Deg.  
              C24B -C16  -C24A    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      42.90 Deg.  
              C15A -C16  -C15B    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      16.20 Deg.  
              H22C -C22  -H22E    1.555   1.555   1.555                         

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

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

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