[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1237-o1238  [ doi:10.1107/S1600536813018369 ]

Tenulin 0.25-hydrate, a sesquiterpene lactone isolated from Helenium amarum

K. S. Knight, C. T. Smith, T. G. Waddell and B. Noll


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = orthorhombic PLAT019_ALERT_1_B Check _diffrn_measured_fraction_theta_full/_max 0.978
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.61 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H5 .. H16B .. 1.88 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.017 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? Check PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C13 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C19 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C21 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C22 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C26 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C30 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C31 (Verify) R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 62 %
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 22 ALERT level G = General information/check it is not something unexpected 3 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 7 ALERT type 3 Indicator that the structure quality may be low 16 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster