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Acta Cryst. (2012). E68, o155  [ doi:10.1107/S160053681105358X ]

5-(3-Chlorophenylsulfanyl)-1-methyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thiazol-5-yl)methyl]oxime

H. Dai, S. Li, K.-P. Luo, J.-X. Fang and Y.-J. Shi

Online 17 December 2011


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Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.273 PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.965 PLAT084_ALERT_2_C High wR2 Value ................................. 0.27 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0056 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 120 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 6
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.20 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT153_ALERT_1_G The su's on the Cell Axes are Equal .......... 0.00300 Ang. PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 67 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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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