Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.
Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki; Journal of the American Chemical Society 137 (2015) 2472–2475; doi:10.1021/jacs.5b00004

data_4129276
_publ_section_title
;
 Copper-catalyzed enantioselective propargylic etherification of
 propargylic esters with alcohols.
;
_journal_issue                   7
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2472
_journal_page_last               2475
_journal_paper_doi               10.1021/jacs.5b00004
_journal_volume                  137
_journal_year                    2015
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C16 H13 Br O'
_chemical_formula_sum            'C16 H13 Br O'
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   4.608(12)
_cell_length_b                   10.41(3)
_cell_length_c                   27.47(7)
_cell_measurement_reflns_used    39
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.05
_cell_measurement_theta_min      12.99
_cell_volume                     1318(6)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
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_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
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'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  1202 Friedel Pairs'
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'w = 1/[0.0003Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
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