In- or in(I)-employed diastereoselective Reformatsky-type reactions with ketones: 1H NMR investigations on the active species.
Babu, Srinivasarao Arulananda; Yasuda, Makoto; Shibata, Ikuya; Baba, Akio; Organic letters 6 (2004) 4475–4478; doi:10.1021/ol0482846

data_1506966
_publ_section_title
;
 In- or in(I)-employed diastereoselective Reformatsky-type reactions with
 ketones: 1H NMR investigations on the active species.
;
_journal_issue                   24
_journal_name_full               'Organic letters'
_journal_page_first              4475
_journal_page_last               4478
_journal_paper_doi               10.1021/ol0482846
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C20 H20 Br Cl O4 '
_chemical_formula_sum            'C20 H20 Br Cl O4'
_chemical_formula_weight         439.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.27(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.847(8)
_cell_length_b                   8.940(7)
_cell_length_c                   19.015(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.6
_cell_volume                     2011(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 1.0403
_diffrn_measured_fraction_theta_max 1.0403
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.034
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_diffrn_reflns_limit_h_min       0
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_diffrn_standards_interval_count 150
_diffrn_standards_number         3
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_exptl_absorpt_correction_T_min  0.800
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.500
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
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_cod_data_source_block           9a1B
_cod_original_cell_volume        2010(1)
_cod_original_formula_sum        'C20 H20 Br Cl O4 '
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