[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o848
[ doi:10.1107/S1600536813010611 ]

Ethyl 3-bromo-4-cyano-5-[(2-ethoxy-2-oxoethyl)sulfanyl]thiophene-2-carboxylate

X. Li, X. Jia and J. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0061 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.008 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 7 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C6 - C8 ... 1.42 Ang. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 26 C7 -C6 -C8 -N1 -36.00 12.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 27 C5 -C6 -C8 -N1 144.00 11.00 1.555 1.555 1.555 1.555 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 28
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 2 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 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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