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Acta Cryst. (2007). E63, o3731-o3732  [ doi:10.1107/S1600536807038147 ]

(2E)-1-(4-Bromophenyl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one

R. J. Butcher, J. P. Jasinski, H. S. Yathirajan, B. Narayana and A. Mithun


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Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.29 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.31 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.294 Tmax scaled 0.294 Tmin scaled 0.151 REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 30.63 From the CIF: _reflns_number_total 2086 Count of symmetry unique reflns 2112 Completeness (_total/calc) 98.77% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present yes PLAT033_ALERT_2_G Flack Parameter Value Deviates 2 * su from zero. 0.02 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 0 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 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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