[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o570
[ doi:10.1107/S1600536813007332 ]

2,4,6-Trinitrophenyl 4-chlorobenzoate

R. Moreno-Fuquen, F. Mosquera, J. Ellena, J. C. Tenorio and C. A. De Simone


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.3 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT431_ALERT_2_C Short Inter HL..A Contact Cl1 .. O3 . 3.16 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 6
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 8 Perc. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 38
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 3 ALERT level G = General information/check it is not something unexpected 0 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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