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Acta Cryst. (2007). E63, o2852  [ doi:10.1107/S1600536807019964 ]

Ethyl 1-butyl-6-methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidine-5-carboxylate

J. R. Sabino, I. Vencato, R. M. Bastos and S. Cunha

Online 10 May 2007


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Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.63 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.79 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17 PLAT245_ALERT_2_C U(iso) H17B Smaller than U(eq) C18B by ... 0.03 AngSq PLAT301_ALERT_3_C Main Residue Disorder ......................... 4.00 Perc. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5
Alert level G 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 67.13 From the CIF: _reflns_number_total 2034 Count of symmetry unique reflns 1764 Completeness (_total/calc) 115.31% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 270 Fraction of Friedel pairs measured 0.153 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 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 3 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 0 ALERT type 5 Informative message, check

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