[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o485-o486
[ doi:10.1107/S1600536813003991 ]

Cinnarizinium bis(p-toluenesulfonate) dihydrate

C. N. Kavitha, R. J. Butcher, J. P. Jasinski, H. S. Yathirajan and A. S. Dayananda


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.970 PLAT230_ALERT_2_C Hirshfeld Test Diff for S1B -- O2B .. 5.7 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.130 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT975_ALERT_2_C Positive Residual Density at 0.74A from O2A . 0.47 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 22 Perc. PLAT335_ALERT_2_G Check Large C6 Ring C-C Range C1C -C6C 0.18 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 25 PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 235
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 6 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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