Regiodivergent addition of phenols to allylic oxides.
Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.; The Journal of organic chemistry 80 (2015) 5252–5259; doi:10.1021/acs.joc.5b00671

data_4036216
_publ_section_title
;
 Regiodivergent addition of phenols to allylic oxides.
;
_journal_issue                   10
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5252
_journal_page_last               5259
_journal_paper_doi               10.1021/acs.joc.5b00671
_journal_volume                  80
_journal_year                    2015
_chemical_formula_moiety         'C16 H20 O4'
_chemical_formula_sum            'C16 H20 O4'
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_atom_sites_solution_hydrogens   mixed
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_cell_length_a                   32.791(2)
_cell_length_b                   32.791(2)
_cell_length_c                   7.4776(3)
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_cell_measurement_temperature    203(2)
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_computing_cell_refinement       'Bruker SAINT+'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      203(2)
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_diffrn_measurement_device_type  'Bruker X8 APEX II diffractometer'
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.186
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0488P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
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_cod_data_source_file            jo5b00671_si_002.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Trigonal' was changed to
'trigonal' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        6962.9(7)
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4036216