checkCIF/PLATON report (basic structural check)

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

Datablock: 07mz577_0m

Bond precision: C-C = 0.0030 A Wavelength=0.71073

`Cell:`	`a=9.692(2)`	`b=30.464(7)`	`c=17.319(4)`
	`alpha=90`	`beta=90.002(4)`	`gamma=90`
`Temperature:`	`100 K`

	`Calculated`	`Reported`
`Volume`	`5114(2)`	`5113.7(19)`
`Space group`	`P 21/c`	`P21/c`
`Hall group`	`-P 2ybc`	`?`
`Moiety formula`	`C26 H35 N3 O7`	`?`
`Sum formula`	`C26 H35 N3 O7`	`C26 H35 N3 O7`
`Mr`	`501.57`	`501.57`
`Dx,g cm-3`	`1.303`	`1.303`
`Z`	`8`	`8`
`Mu (mm-1)`	`0.095`	`0.095`
`F000`	`2144.0`	`2144.0`
`F000'`	`2145.08`
`h,k,lmax`	`12,40,23`	`12,40,23`
`Nref`	`12691`	`12679`
`Tmin,Tmax`	`0.960,0.981`	`0.782,0.981`
`Tmin'`	`0.949`

Correction method= AbsCorr=MULTI-SCAN

Data completeness= Ratio = 0.999 Theta(max)= 28.280

R(reflections)= 0.0479( 10094) wR2(reflections)= 0.1082( 12679)

S = 1.008 Npar= 664

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:      0.782     0.981
            Tmin(prime) and Tmax expected:      0.948     0.981
            RR(prime) =      0.825
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_4_C Tmax/Tmin Range Test RR' too Large .............       0.82      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Labels ..........          6      
Alert level G
PLAT793_ALERT_4_G Check the Absolute Configuration of C1A    .....          R      
PLAT793_ALERT_4_G Check the Absolute Configuration of C1B    .....          R      
   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   2 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 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
   4 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 07mz577_0m - ellipsoid plot

Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry