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Acta Cryst. (2005). E61, o3540-o3542  [ doi:10.1107/S1600536805031053 ]

5-Carboxylato-5-hydroxy-4-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-1,1-dimethyl-4,5-dihydro-1H-pyrazol-1-ium monohydrate

S. Demir, M. Dinçer, I. Yildirim and A. Kayademir

Online 5 October 2005


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Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.710 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.15 PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............ 0.71 e/A   3 PLAT480_ALERT_4_C Long H...A H-Bond Reported H21B .. CG1 .. 3.01 Ang.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 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 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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