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Acta Cryst. (2007). E63, o2979  [ doi:10.1107/S1600536807024737 ]

4-[4-(Benzyloxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one

D.-J. Wang, L. Fan and J. Zheng

Online 26 May 2007


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Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C17 PLAT431_ALERT_2_B Short Inter HL..A Contact F1' .. F2' .. 2.52 Ang.
Alert level C PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 7.87 PLAT301_ALERT_3_C Main Residue Disorder ......................... 12.00 Perc. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 6
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.00 From the CIF: _reflns_number_total 1881 Count of symmetry unique reflns 1895 Completeness (_total/calc) 99.26% 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 no PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 66
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 2 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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