[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o530-o531
[ doi:10.1107/S1600536814007430 ]

9[alpha]-Hy­droxy-12-{[4-(4-hy­droxy­phen­yl)piperazin-1-yl]meth­yl}-4,8-dimethyl-3,14-dioxatri­cyclo­[9.3.0.02,4]tetra­dec-7-en-13-one

M. Loubidi, A. Benharref, L. El Ammari, M. Saadi and M. Berraho


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT213_ALERT_2_C Atom O5A has ADP max/min Ratio ..... 3.3 prolat PLAT213_ALERT_2_C Atom C21A has ADP max/min Ratio ..... 3.1 prolat PLAT213_ALERT_2_C Atom C22A has ADP max/min Ratio ..... 3.4 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) Range 5.0 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.0 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference O5B -- C23 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C20 -- C21B .. 0.16 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C22B -- C23 .. 0.17 Ang. PLAT234_ALERT_4_C Large Hirshfeld Difference C23 -- C22A .. 0.22 Ang. PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C20 Check PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C20 -C21A 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0050 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 3 Why ? PLAT128_ALERT_4_G Alternate Setting for Input Space-Group C2 I2 Note PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00500 Ang. PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 9 Note PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C20 -C25 0.17 Ang. PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C20 -C21A 0.19 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 Note PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 109 Check C21A -C20 -C21B 1.555 1.555 1.555 7.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 128 Check O5B -C23 -O5A 1.555 1.555 1.555 26.90 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 130 Check C22A -C23 -C22B 1.555 1.555 1.555 13.00 Deg. PLAT791_ALERT_4_G The Model has Chirality at C1 ............. S Verify PLAT791_ALERT_4_G The Model has Chirality at C2 ............. R Verify PLAT791_ALERT_4_G The Model has Chirality at C3 ............. R Verify PLAT791_ALERT_4_G The Model has Chirality at C8 ............. R Verify PLAT791_ALERT_4_G The Model has Chirality at C10 ............. S Verify PLAT791_ALERT_4_G The Model has Chirality at C11 ............. R Verify PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 3 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 18 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 15 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster