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Acta Cryst. (2013). E69, o1198  [ doi:10.1107/S1600536813017893 ]

2,2'-[(4-Methyl-2-phenylimidazolidine-1,3-diyl)bis(methylene)]diphenol

A. Rivera, L. Cárdenas, J. Ríos-Motta, V. Eigner and M. Dusek


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT410_ALERT_2_B Short Intra H...H Contact H1C8 .. H1C26' .. 1.87 Ang.
Author Response: Contact with weakly occupied disorederd part of molecule.
PLAT911_ALERT_3_B Missing # FCF Refl Between THmin & STh/L=  0.597        866      
PLAT922_ALERT_1_B wR2 in the CIF and FCF Differ by ...............     0.0082      
PLAT927_ALERT_1_B Reported and Calculated  wR2 Differ by .........     0.0081      
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers ....          2      
Author Response: Weak reflections with no significant impact on refinement

Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.80 PLAT127_ALERT_1_C Implicit Hall Symbol Inconsistent with Explicit -P 2ycb PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... -0.095
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 11 % PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 32 PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C27 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 100 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 4 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 8 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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