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Acta Cryst. (2014). E70, o11-o12  [ doi:10.1107/S1600536813032509 ]

2-[(E)-2-(4-Eth­oxy­phen­yl)ethen­yl]-1-methyl­quinolinium 4-fluoro­benzene­sulfonate

H.-K. Fun, T. Kobkeatthawin, P. Ruanwas, C. K. Quah and S. Chantrapromma


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Alert level C PLAT213_ALERT_2_C Atom C18A has ADP max/min Ratio ..... 3.4 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.8 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.6 Ratio PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.7 Note PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0043 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H8A .. H11A .. 1.96 Ang. PLAT412_ALERT_2_C Short Intra XH3 .. XHn H2A .. H20B .. 1.82 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.209 Check
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 20 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 20 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 30 Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 418 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 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 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 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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