[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o579-o580
[ doi:10.1107/S1600536813007605 ]

1,3-Bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-2,2-bis[(2,3,5,6-tetrafluoro-4-iodophenoxy)methyl]propane

G. Cavallo, P. Metrangolo, T. Pilati, G. Resnati, G. Terraneo and M. Ursini


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.86 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 8 PLAT434_ALERT_2_G Short Inter HL..HL Contact I2 .. F15 . 3.32 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact I3 .. F2 . 3.18 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact I4 .. F6 . 3.24 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F1 .. F12 . 2.61 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F2 .. F4 . 2.79 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F5 .. F7 . 2.68 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F9 .. F11 . 2.77 Ang. PLAT434_ALERT_2_G Short Inter HL..HL Contact F14 .. F16 . 2.82 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 1 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 28 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 55
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: All authors contributed significantly to the reported work. P.M. and G.R. designed the synthesis of the title compound. G.C and M.U synthesized the title compound. P.M. crystallized the title compound. T.P and G.T performed the x-ray diffraction experiments. G.R. and G.T. final analysis and write up.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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