Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.
Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi; Journal of the American Chemical Society 141 (2019) 17042–17047; doi:10.1021/jacs.9b06910

data_4127868
_publ_section_title
;
 Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal
 Alkynes with Naphthalene-1,8-diaminatoborane.
;
_journal_issue                   43
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17042
_journal_page_last               17047
_journal_paper_doi               10.1021/jacs.9b06910
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'C53 H70 B Cl N4 O P Ru'
_chemical_formula_weight         957.43
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
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_atom_sites_solution_hydrogens   mixed
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_cell_angle_beta                 99.4480(10)
_cell_angle_gamma                107.1080(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1502(7)
_cell_length_b                   14.1459(11)
_cell_length_c                   19.8419(15)
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      2.37
_cell_volume                     2404.7(3)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
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'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.971
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.498
_diffrn_reflns_theta_min         1.517
_exptl_absorpt_coefficient_mu    0.457
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2016/2'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_description       prism
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_refine_ls_number_reflns         10720
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_refine_ls_restrained_S_all      1.026
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0288P)^2^+1.0896P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b06910_si_002.cif
_cod_data_source_block           KY4212
_cod_original_sg_symbol_H-M      P-1
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_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.828
_shelx_estimated_absorpt_t_max   0.935
_shelx_res_checksum              59048
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