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Acta Cryst. (2009). E65, o71  [ doi:10.1107/S1600536808041007 ]

4-(3-Ethoxy-4-hydroxystyryl)-1-methylpyridinium tosylate monohydrate

S. Murugavel, A. SubbiahPandi, C. Srikanth and S. Kalainathan

Online 10 December 2008


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checkCIF/PLATON results

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Alert level C Value of measurement temperature given = 293.000 Value of melting point given = 0.000 SHFSU01_ALERT_2_C Test not performed. _refine_ls_shift/su_max and _refine_ls_shift/esd_max not present. Absolute value of the parameter shift to su ratio given 0.001 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.36 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.82 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C8 -- C9 .. 5.89 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for S PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20 PLAT245_ALERT_2_C U(iso) H6OB Smaller than U(eq) O6 by ... 0.04 AngSq PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.14 PLAT223_ALERT_4_C Large Solvent/Anion H Ueq(max)/Ueq(min) ... 3.20 Ratio
Alert level G PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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