checkCIF/PLATON report (basic structural check)

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

Datablock: 07mz575_0m

Bond precision: C-C = 0.0020 A Wavelength=0.71073

`Cell:`	`a=11.7916(16)`	`b=12.1845(17)`	`c=17.553(2)`
	`alpha=90`	`beta=95.196(2)`	`gamma=90`
`Temperature:`	`296 K`

	`Calculated`	`Reported`
`Volume`	`2511.6(6)`	`2511.5(6)`
`Space group`	`P 21/n`	`P2(1)/n`
`Hall group`	`-P 2yn`	`?`
`Moiety formula`	`C31 H32 N2 O2`	`?`
`Sum formula`	`C31 H32 N2 O2`	`C31 H32 N2 O2`
`Mr`	`464.59`	`464.59`
`Dx,g cm-3`	`1.229`	`1.229`
`Z`	`4`	`4`
`Mu (mm-1)`	`0.077`	`0.077`
`F000`	`992.0`	`992.0`
`F000'`	`992.39`
`h,k,lmax`	`15,16,23`	`15,16,23`
`Nref`	`6236`	`6241`
`Tmin,Tmax`	`0.967,0.988`	`0.841,0.988`
`Tmin'`	`0.967`

Correction method= AbsCorr=MULTI-SCAN

Data completeness= Ratio = 1.001 Theta(max)= 28.280

R(reflections)= 0.0463( 4494) wR2(reflections)= 0.1228( 6241)

S = 1.034 Npar= 320

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 C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.841     0.988
            Tmin(prime) and Tmax expected:      0.967     0.988
            RR(prime) =      0.870
            Please check that your absorption correction is appropriate.
PLAT318_ALERT_2_C Check Hybridisation of  N2     in Main Residue .          ?     
PLAT061_ALERT_4_C Tmax/Tmin Range Test RR' too Large .............       0.87      
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety         C4     
Alert level G
PLAT793_ALERT_4_G Check the Absolute Configuration of C12    .....          S      
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   3 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 29/04/2008; check.def file version of 22/04/2008

Datablock 07mz575_0m - ellipsoid plot

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