Acta Cryst. (2004). E60, o1460-o1462  [ doi:10.1107/S1600536804018604 ]

Conformations of imperatorin

Atta-ur-Rahman, S. Zareen, M. I. Choudhary, F. Shaheen and M. Parvez

Online 7 August 2004

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean (C-C) = 0.002 Å
• R factor = 0.048
• wR factor = 0.142
• Data-to-parameter ratio = 21.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT220_ALERT_2_A Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       5.05 Ratio 

Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       5.00 Ratio 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.47 Ratio 

PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.29 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors  for        C1'     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for        C3'     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for       C13'     
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          2       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C16 H14 O4                                                        

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion

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