HTTP/1.1 200 OK Date: Fri, 15 Jun 2007 16:31:52 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2006src1256
Bond precision: C-C = 0.0052 A Wavelength=0.71073
Cell: a=9.0231(6) b=9.1863(6) c=12.5757(9)
alpha=106.174(4) beta=97.221(4) gamma=110.245(4)
Calculated Reported
Volume 910.31(12) 910.30(11)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C14 H25 N3 O5 ?
Sum formula C14 H25 N3 O5 C14 H25 N3 O5
Mr 315.37 315.37
Dx,g cm-3 1.151 1.151
Z 2 2
Mu (mm-1) 0.087 0.087
F000 340.0 340.0
F000' 340.17
h,k,lmax 11,11,16 11,11,16
Nref 4171 4139
Tmin,Tmax 0.996,0.999 0.995,0.999
Tmin' 0.995
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.992 Theta(max)= 27.480
R(reflections)= 0.0883( 2743) wR2(reflections)= 0.1583( 4139)
S = 1.145 Npar= 200

The following ALERTS were generated. Each ALERT has the format
Click on the hyperlinks for more details of the test.

Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact O2 .. C10 .. 2.89 Ang. PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 121.00 A**3
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 400 Deg. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 5
Alert level G PLAT793_ALERT_1_G Check the Absolute Configuration of C8 = ... S
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 3 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 1 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

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 23/04/2007; check.def file version of 23/04/2007
Datablock 2006src1256 - ellipsoid plot

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