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Acta Cryst. (2005). E61, o2579-o2581  [ doi:10.1107/S1600536805022130 ]

6[alpha]-Acetoxy-4,5[alpha]-epoxy-3-methoxy-17-methylmorphin-7-ene

V. N. Sonar, S. Parkin and P. A. Crooks

Online 16 July 2005


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Alert level B PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............ 24.99 Deg.
Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 2.000 From the CIF: _refine_ls_abs_structure_Flack_su 2.000 PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 2.00 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 2.00 PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 7.35 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 24.99 From the CIF: _reflns_number_total 1683 Count of symmetry unique reflns 1681 Completeness (_total/calc) 100.12% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2 Fraction of Friedel pairs measured 0.001 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 1 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 2 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

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