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Acta Cryst. (2005). E61, o2644-o2645  [ doi:10.1107/S1600536805022555 ]

2-Bromoethyl 2,3,4,6-tetra-O-acetyl-[beta]-D-glucopyranoside

I. Halasz, R. Odzak, S. Tomic and D.M.- Matkovic-Calogovic

Online 23 July 2005


Key indicators

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.75 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.13 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT480_ALERT_4_C Long H...A H-Bond Reported H6B .. O9 .. 2.73 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B .. O9 .. 2.63 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12C .. O1 .. 2.66 Ang. PLAT726_ALERT_1_C H...A Calc 2.61723, Rep 2.63000 Dev... 0.01 Ang. H10B -O9 1.555 2.746
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 26.06 From the CIF: _reflns_number_total 3873 Count of symmetry unique reflns 2162 Completeness (_total/calc) 179.14% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1711 Fraction of Friedel pairs measured 0.791 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

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