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Acta Cryst. (2012). E68, o169  [ doi:10.1107/S1600536811053840 ]

(4R)-4-Benzyl-3-{(4S)-4-chloro-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoyl}-1,3-oxazolidin-2-one

S. Börding, C. Strohmann, H. Preut and M. Hiersemann

Online 17 December 2011


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Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for N -- C10 .. 9.4 su
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O2 -- C10 .. 6.4 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O3 -- C11 .. 5.8 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3
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 3594 Count of symmetry unique reflns 1984 Completeness (_total/calc) 181.15% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1610 Fraction of Friedel pairs measured 0.811 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT432_ALERT_2_G Short Inter X...Y Contact O1 .. C10 .. 2.99 Ang. PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C15 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 0 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 1 ALERT type 5 Informative message, check

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