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Acta Cryst. (2013). E69, o293-o294
[ doi:10.1107/S1600536813001943 ]

Ethyl 4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate 1.25-hydrate

N. S. Mansor, M. F. Mohammat, Z. Shaameri and H. Khaledi


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.752 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.66 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.75 eA-3 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 91
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 23 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.25 Ratio PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT793_ALERT_4_G The Model has Chirality at C3A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C3B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C3C (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C3D (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C4A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C4B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C4C (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C4D (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C5B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5C (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C5D (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 20 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 42
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 20 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 14 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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