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Acta Cryst. (2012). E68, o176  [ doi:10.1107/S1600536811052585 ]

(S)-4-Phenyl-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazole

S. Pawar, P. Bhatt, T. Govender, H. G. Kruger and G. E. M. Maguire

Online 21 December 2011


Key indicators

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Alert level C PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1N ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 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 28.40 From the CIF: _reflns_number_total 3676 Count of symmetry unique reflns 1844 Completeness (_total/calc) 199.35% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1832 Fraction of Friedel pairs measured 0.993 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 7 Units PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 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 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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