[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2009). E65, o2294  [ doi:10.1107/S1600536809033996 ]

Duloxetine hydrochloride

M. Bhadbhade, J. Hook, C. Marjo, A. Rich and Q. Lin

Online 29 August 2009


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C GOODF01_ALERT_2_C The least squares goodness of fit parameter lies outside the range 0.80 <> 2.00 Goodness of fit given = 0.789 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 6
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 25.00 From the CIF: _reflns_number_total 2947 Count of symmetry unique reflns 1638 Completeness (_total/calc) 179.91% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1309 Fraction of Friedel pairs measured 0.799 Are heavy atom types Z>Si present yes PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 16.00 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 110 PLAT791_ALERT_4_G The Model has Chirality at C11 (Verify) .... S PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 5 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 3 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

Copyright © International Union of Crystallography
IUCr Webmaster