[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o795-o796
[ doi:10.1107/S1600536813011008 ]

Lup-20(29)-en-28-ol-3-one (betulone)

S. Boryczka, E. Michalik, J. Kusz, M. Nowak and E. Chrobak


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT414_ALERT_2_B Short Intra D-H..H-X H2A .. H28A .. 1.80 Ang. PLAT414_ALERT_2_B Short Intra D-H..H-X H2B .. H13B .. 1.82 Ang. PLAT420_ALERT_2_B D-H Without Acceptor O2A - H2A ... ? PLAT420_ALERT_2_B D-H Without Acceptor O2B - H2B ... ?
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.2 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0046 Ang PLAT410_ALERT_2_C Short Intra H...H Contact H15A .. H28A .. 1.97 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H15C .. H28C .. 1.99 Ang. PLAT411_ALERT_2_C Short Inter H...H Contact H11B .. H28C .. 2.08 Ang. PLAT411_ALERT_2_C Short Inter H...H Contact H28D .. H29A .. 2.09 Ang. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H15C .. H26F .. 1.89 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.263 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.596 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.11 PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C28A PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C28B PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 17 PLAT791_ALERT_4_G Note: The Model has Chirality at C5A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C8A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C8B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C9A (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C9B (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C10A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C10B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C13A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C13B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C17A (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17B (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C18A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C18B (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C19A (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C19B (Verify) R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 74 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 25 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 19 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster