Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.
Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang; The Journal of organic chemistry  (2020) –; doi:10.1021/acs.joc.0c00877

data_4038649
_publ_section_title
;
 Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal
 Complexes Containing Trost Ligands.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c00877
_journal_year                    2020
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_space_group_name_H-M_alt        'P 21 21 21'
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_cell_measurement_temperature    120(2)
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_cell_measurement_theta_min      2.17
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_crystal_description       block
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.033(8)
_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.1063
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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^)+(0.0578P)^2^+16.7156P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.995
_reflns_number_gt                15005
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_shelx_estimated_absorpt_t_max   0.771
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_shelx_hkl_checksum              7713
_shelx_fab_checksum              86707