checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
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Datablock: 07skc0007p21c
Bond precision: C-C = 0.0146 A Wavelength=0.71073
Cell: a=11.569(10) b=6.307(5) c=16.676(13)
alpha=90 beta=101.54(5) gamma=90
Temperature: 120 K
Calculated Reported
Volume 1192.2(17) 1192.1(17)
Space group P 21/c P21/c
Hall group -P 2ybc ?
Moiety formula C8 H20 N, 0.5(C4 H2 O4) ?
Sum formula C10 H21 N O2 C20 H42 N2 O4
Mr 187.28 374.56
Dx,g cm-3 1.043 1.043
Z 4 2
Mu (mm-1) 0.071 0.071
F000 416.0 416.0
F000' 416.18
h,k,lmax 15,8,21 15,8,21
Nref 2726 2606
Tmin,Tmax 0.992,0.999 0.988,0.999
Tmin' 0.988
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.956 Theta(max)= 27.480
R(reflections)= 0.1926( 788) wR2(reflections)= 0.4242( 2606)
S = 1.079 Npar= 127

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

Alert level A RINTA01_ALERT_3_A The value of Rint is greater than 0.20 Rint given 0.220 PLAT020_ALERT_3_A The value of Rint is greater than 0.10 ......... 0.22
Alert level B RFACG01_ALERT_3_B The value of the R factor is > 0.15 R factor given 0.193 RFACR01_ALERT_3_B The value of the weighted R factor is > 0.35 Weighted R factor given 0.424 PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 30 Perc. PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT082_ALERT_2_B High R1 Value .................................. 0.19 PLAT084_ALERT_2_B High R2 Value .................................. 0.42 PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang ... 15
Alert level C PLAT245_ALERT_2_C U(iso) H25B Smaller than U(eq) N25 by ... 0.01 AngSq PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2 C4 H2 O4
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.000 Tmax scaled 0.999 Tmin scaled 0.988
2 ALERT level A = In general: serious problem 7 ALERT level B = Potentially serious problem 5 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 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 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 29/04/2008; check.def file version of 22/04/2008
Datablock 07skc0007p21c - ellipsoid plot

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