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Acta Cryst. (2005). E61, o2891-o2893  [ doi:10.1107/S1600536805025092 ]


D. J. Watkin, A. F. G. Glawar, R. Soengas, U. P. Skytte, M. R. Wormald, R. A. Dwek and G. W. J. Fleet

Online 12 August 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.840 0.980 Tmin(prime) and Tmax expected: 0.940 0.980 RR(prime) = 0.894 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.89 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.26 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.67 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14
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 30.04 From the CIF: _reflns_number_total 2239 Count of symmetry unique reflns 2295 Completeness (_total/calc) 97.56% 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
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 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 3 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

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