[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o908-o909
[ doi:10.1107/S1600536813013068 ]

5,5'-(Ethyne-1,2-diyl)diisophthalic acid dimethyl sulfoxide tetrasolvate

A. S. Münch, F. Katzsch, E. Weber and F. O. R. L. Mertens


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT480_ALERT_4_C Long H...A H-Bond Reported H1G3 .. O4 .. 2.71 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1H2 .. O4 .. 2.69 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2H2 .. O1 .. 2.67 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H2H2 .. O4 .. 2.70 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C1 - C2 ... 1.44 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 12 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 95 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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