Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration
Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault; Catalysis Science & Technology 14 (2024) 1848–1853; doi:10.1039/D3CY01702H

data_1571021
_publ_section_title
;
 Formoxyboranes as hydroborane surrogates for the catalytic reduction of
 carbonyls through transfer hydroboration
;
_journal_issue                   7
_journal_name_full               'Catalysis Science &amp; Technology'
_journal_page_first              1848
_journal_page_last               1853
_journal_paper_doi               10.1039/D3CY01702H
_journal_volume                  14
_journal_year                    2024
_chemical_formula_sum            'C14 H20 B N O2'
_chemical_formula_weight         245.12
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2023-07-25 deposited with the CCDC.	2024-02-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.70
_cell_volume                     2610.85(16)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
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'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
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_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Nonius Kappa-CCD area-detector diffractometer'
_diffrn_measurement_method
'two \f and two \w scans with 2\% steps (302 frames)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
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_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   none
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_exptl_crystal_description       irregular
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_refine_diff_density_min         -0.180
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0466
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0509P)^2^+0.6479P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2140
_reflns_number_total             2468
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1a
_cod_depositor_comments
'Adding full bibliography for 1571020--1571024.cif.'
_cod_database_code               1571021
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