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Acta Cryst. (2005). E61, o2576-o2578  [ doi:10.1107/S1600536805022245 ]

(3R)-Methyl 6-tert-butoxycarbonylamino-5-oxo-2,3-dihydro-5H-1,3-thiazolo[3,2-a]pyridine-3-carboxylate

H. Seger, S. Stempfhuber, M. Zabel, M. Marsch, A. Geyer and K. Harms

Online 16 July 2005


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Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.52 Ratio PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.00 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.28 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C14 H18 N2 O5 S
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 27.97 From the CIF: _reflns_number_total 7579 Count of symmetry unique reflns 4084 Completeness (_total/calc) 185.58% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3495 Fraction of Friedel pairs measured 0.856 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 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 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

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