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Acta Cryst. (2013). E69, o1835-o1836
[ doi:10.1107/S1600536813031735 ]

(S)-(+)-cis-4'-Benzyl­oxypraziquantel

A. Cedillo-Cruz, M. I. Aguilar and H. Jung-Cook


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B Crystal system given = monoclinic PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 42 %
Author Response: The absolute structure has been determined using the known chiral center.

Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.382 From the CIF: _refine_ls_abs_structure_Flack_su 0.265
Author Response: The anomalous dispersion effect is small. The absolute structure has been determined using the known chiral center.
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0089 Ang.  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          7 Why ? 
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         11       

Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 0.300
Author Response: The anomalous dispersion effect is small. The absolute structure has been determined using the known chiral center.
PLAT301_ALERT_3_G Main Residue  Disorder ............ Percentage =          5 Note  
PLAT791_ALERT_4_G The Model has Chirality at C12          (Verify)          S       
Author Response: C12 and C12A are chiral centres with S-configuration.
PLAT791_ALERT_4_G The Model has Chirality at C12A         (Verify)          S       
Author Response: C12 and C12A are chiral centres with S-configuration.
PLAT860_ALERT_3_G Number of Least-Squares Restraints .............          4 Note  
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          3       

0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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