checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2009src0584p21c
Bond precision: C-C = 0.0045 A Wavelength=0.71073
Cell: a=19.9190(15) b=4.7488(4) c=12.3797(11)
alpha=90 beta=95.736(5) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1165.15(17) 1165.15(17)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C12 H16 N2 O2 ?
Sum formula C12 H16 N2 O2 C12 H16 N2 O2
Mr 220.27 220.27
Dx,g cm-3 1.256 1.256
Z 4 4
Mu (mm-1) 0.087 0.087
F000 472.0 472.0
F000' 472.20
h,k,lmax 25,6,16 25,6,16
Nref 2666 2648
Tmin,Tmax 0.979,0.998 0.970,0.998
Tmin' 0.970
Correction method= MULTI-SCAN
Data completeness= 0.993 Theta(max)= 27.480
R(reflections)= 0.0875( 1784) wR2(reflections)= 0.1707( 2648)
S = 1.096 Npar= 154

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

Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.33 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.70 Ratio PLAT420_ALERT_2_C D-H Without Acceptor N10 - H10 ... ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C12 H16 N2 O2
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical . ?
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 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 2 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 09/04/2009; check.def file version of 08/04/2009
Datablock 2009src0584p21c - ellipsoid plot

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