[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1519
[ doi:10.1107/S1600536813024513 ]

2,3,4,5,6-Pentafluoro-trans-cinnamic acid

A. Navarrete, R. Somanathan and G. Aguirre

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.702 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.18 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.01200 Deg. PLAT434_ALERT_2_G Short Inter HL..HL Contact F1 .. F4 . 2.74 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F3 .. F3 . 2.77 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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