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Acta Cryst. (2005). E61, 02682-o2684  [ doi:10.1107/S1600536805023287 ]

A (1R,2R,5R)-(+)-2[alpha]-hydroxypinan-3-one ketimine

J. T. Ayers, V. N. Sonar, S. Parkin, L. P. Dwoskin and P. A. Crooks

Online 23 July 2005


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Alert level C STRVA01_ALERT_4_C Flack test results are meaningless. From the CIF: _refine_ls_abs_structure_Flack 0.200 From the CIF: _refine_ls_abs_structure_Flack_su 2.100 PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 2.00 PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su .. 2.00
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 26.00 From the CIF: _reflns_number_total 1613 Count of symmetry unique reflns 1613 Completeness (_total/calc) 100.00% 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 3 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

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