Acta Cryst. (2002). E58, o172-o174 [ doi:10.1107/S1600536802000727 ]
No syntax errors found ADDSYM reports no extra symmetry
Alert Level B:
PLAT_420 Alert B D-H Without Acceptor O(1) - *H(12) ?
|Author response: As a consequnce of the arrangement of the hydroxyl groups, the structure contains some D-H moieties without acceptors. In the comment section we describe this situation as follows: "The packing of the crystal displays clusters of four molecules, connected by hydrogen bonds (see Figure 2). Due to the arrangement of acceptor/donor atoms in a linear chain, it is not possible for each donor to be involved in a hydrogen bond; also some acceptor atoms will remain free. Since a co-operative hydrogen bond chain is normally preferred for this arrangement of donor/acceptor atoms, the hydrogen atoms of the hydroxyl groups were placed in positions enabling such a pattern."|
HYDTR_01 Extra text has been found in the _refine_ls_hydrogen_treatment field. Explanatory text should be in the _publ_section_refinement field. Hydrogen treatment given as H atoms: see text Hydrogen treatment identified as see text REFLT_03 From the CIF: _diffrn_reflns_theta_max 27.52 From the CIF: _reflns_number_total 2367 Count of symmetry unique reflns 2374 Completeness (_total/calc) 99.71% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no 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.
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
0 Alert Level C = Please check
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