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Acta Cryst. (2014). E70, o37  [ doi:10.1107/S1600536813033023 ]

4-(4-Amino­phenyl­sulfon­yl)anilinium toluene-4-sulfonate

G. Smith and U. D. Wermuth


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Alert level C PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0051 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 15.821 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.049 Check PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1 Check PLAT975_ALERT_2_C Positive Residual Density at 0.93A from O13A . 0.43 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 5 Why ? PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 4 Why ? PLAT960_ALERT_3_G Number of Intensities with I < - 2*sig(I) ... 1
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 4 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 6 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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