A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety of Xylosmin.
Ghavre, Mukund; Froese, Jordan; Murphy, Brennan; Simionescu, Razvan; Hudlicky, Tomas; Organic letters 19 (2017) 1156–1159; doi:10.1021/acs.orglett.7b00194

data_1545444
_publ_section_title
;
 A Formal Approach to Xylosmin and Flacourtosides E and F: Chemoenzymatic
 Total Synthesis of the Hydroxylated Cyclohexenone Carboxylic Acid Moiety
 of Xylosmin.
;
_journal_issue                   5
_journal_name_full               'Organic letters'
_journal_page_first              1156
_journal_page_last               1159
_journal_paper_doi               10.1021/acs.orglett.7b00194
_journal_volume                  19
_journal_year                    2017
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C29 H21 Br2 N O11'
_chemical_formula_sum            'C29 H21 Br2 N O11'
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_cell_measurement_temperature    147(2)
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_cell_volume                     2929.9(2)
_computing_cell_refinement       APEX2
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_diffrn_radiation_type           CuK\a
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; 
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.054(19)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0226P)^2^+4.6157P] where P=(Fo^2^+2Fc^2^)/3'
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