checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing ....                     Interpreting this report





Datablock: 2005src1571


Bond precision:
   C-C = 0.0040 A
Wavelength=0.71073



Cell:
a=26.6843(11)
b=16.3545(7)
c=8.6878(2)



alpha=90
beta=98.881(2)
gamma=90


Temperature: 
120 K






Calculated
Reported


Volume
3746.0(2)

3746.0(2)


Space group
C 2/c      
C2/c       


Hall group
-C 2yc     
-C 2yc     

Moiety formula
C20 H32 O2

?


Sum formula
C20 H32 O2

C20 H32 O2



Mr
304.46
304.46



Dx,g cm-3
1.080
1.080



Z
8
8



Mu (mm-1)
0.067
0.067



F000
1344.0
1344.0


F000'
1344.55




h,k,lmax
31,19,10
31,19,10


Nref
3302        
3290        


Tmin,Tmax
0.997,0.998
0.976,0.998


Tmin'
0.976




Correction method= MULTI-SCAN




Data completeness= 0.996
Theta(max)= 25.000



R(reflections)= 0.0914(  2217)
wR2(reflections)= 0.1244(  3290)


S = 1.090
Npar= 207


The following ALERTS were generated. Each ALERT has the format
       test-name_ALERT_alert-type_alert-level.
Click on the hyperlinks for more details of the test.
Alert level A
PLAT417_ALERT_2_A Short Inter D-H..H-D       H2     ..  H2      ..       1.07 Ang. 
Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.       7.67      
PLAT793_ALERT_4_G The Model has Chirality at C3      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          S      
   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   0 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

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

Publication of your CIF in IUCr journals


A basic structural check has been run on your CIF.
These basic checks will be run on all CIFs submitted for publication in
IUCr journals (Acta Crystallographica, Journal of Applied Crystallography,
Journal of Synchrotron Radiation); however, if you intend to submit to Acta
Crystallographica Section C or E, you should make sure that
full publication
checks are run on the final version of your CIF prior to submission.

Publication of your CIF in other journals
Please refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission.
PLATON version of 13/08/2009; check.def file version of 12/08/2009

Datablock 2005src1571 - ellipsoid plot





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