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Acta Cryst. (2013). E69, o1109-o1110  [ doi:10.1107/S1600536813016206 ]

3[beta],6[alpha]-Diacetoxy-5,9[alpha]-dihydroxy-5[alpha]-cholest-7-en-11-one

V. Piccialli, A. Tuzi, G. Oliviero, N. Borbone and R. Centore


Key indicators

checkCIF/PLATON results

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.9 Ratio PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.2 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 46 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 14 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 10 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C25A PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C25B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 18 % PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 168 C28B -O4 -C28A 1.555 1.555 1.555 20.00 Deg. PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (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 C10 (Verify) S 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 C17 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 43 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 49
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 19 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 11 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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