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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

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT242_ALERT_2_A Check Low Ueq as Compared to Neighbors for C16
Author Response: The neighboring atoms to C16 are disordered.

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
Author Response: The neighboring atoms to C16 are disordered.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C17     
Author Response: The neighboring atoms to C16 are disordered.
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        O6B     
Author Response: The neighboring atoms to C16 are disordered.
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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