checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009lsh001
Bond precision: C-C = 0.0016 A Wavelength=0.71073
Cell: a=8.0497(2) b=17.7203(3) c=10.1483(3)
alpha=90 beta=102.323(2) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1414.23(6) 1414.23(6)
Space group P 21/n P21/n
Hall group -P 2yn ?
Moiety formula C15 H18 N2 O2 ?
Sum formula C15 H18 N2 O2 C15 H18 N2 O2
Mr 258.31 258.31
Dx,g cm-3 1.213 1.213
Z 4 4
Mu (mm-1) 0.081 0.081
F000 552.0 552.0
F000' 552.23
h,k,lmax 10,23,13 10,23,13
Nref 3245 3234
Tmin,Tmax 0.943,0.953 0.930,0.953
Tmin' 0.930
Correction method= MULTI-SCAN
Data completeness= 0.997 Theta(max)= 27.490
R(reflections)= 0.0401( 2797) wR2(reflections)= 0.0986( 3234)
S = 1.033 Npar= 174

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

Alert level B PLAT063_ALERT_4_B Crystal Probably too Large for Beam Size ....... 0.90 mm
Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.55 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C15 .. 6.89 su PLAT371_ALERT_2_C Long C(sp2)-C(sp1) Bond C2 - C15 ... 1.44 Ang.
Alert level G PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical . ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 1 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 25/02/2009; check.def file version of 25/02/2009
Datablock 2009lsh001 - ellipsoid plot

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