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Acta Cryst. (2007). E63, o4159-o4160  [ doi:10.1107/S1600536807046077 ]

Absolute configuration from a redetermination of (+)-5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione at 118 (2) K

P. Sledz, M. Chruszcz and W. Minor


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Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact O2 .. C2 .. 2.79 Ang.
Alert level C PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 100 Ang. PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT431_ALERT_2_C Short Inter HL..A Contact Br1 .. Br1 .. 3.55 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact Br1 .. Br1 .. 3.55 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O2 .. C2' .. 2.98 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O4 .. C3' .. 3.01 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 1
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 36.30 From the CIF: _reflns_number_total 5127 Count of symmetry unique reflns 2799 Completeness (_total/calc) 183.17% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2328 Fraction of Friedel pairs measured 0.832 Are heavy atom types Z>Si present yes PLAT791_ALERT_1_G Confirm the Absolute Configuration of C1' = . R PLAT791_ALERT_1_G Confirm the Absolute Configuration of C3' = . S PLAT791_ALERT_1_G Confirm the Absolute Configuration of C4' = . R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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