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Acta Cryst. (2013). E69, o1316  [ doi:10.1107/S1600536813019879 ]

N,N-Diethyl-4-[1-phenyl-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]aniline

Y.-Z. Zhu, H. Wang, P.-P. Sun and Y.-P. Tian


Key indicators

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0049 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.495 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 7
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 10 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 29 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 14 % PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 507 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 35 %
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 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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