[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3092-o3093
[ doi:10.1107/S1600536812041013 ]

rac-Ethyl 4-hydroxy-4-trifluoromethyl-6-(2,4,5-trimethoxyphenyl)-2-thio-1,3-diazinane-5-carboxylate

Y.-Q. Li and Z.-Y. Ju


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for S1 -- C1 .. 6.1 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C2 -- C5 .. 5.9 su PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 40 A   3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.820
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 4 PLAT434_ALERT_2_G Short Inter HL..HL Contact F3 .. F3 . 2.78 Ang. PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C4 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 33
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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