Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles
Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.; ACS Catalysis 7 (2017) 8454–; doi:10.1021/acscatal.7b02811

data_4514293
_publ_section_title
;
 Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles
;
_journal_issue                   12
_journal_name_full               'ACS Catalysis'
_journal_page_first              8454
_journal_paper_doi               10.1021/acscatal.7b02811
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C46 H48 N4 Zn'
_chemical_formula_weight         722.25
_space_group_crystal_system      triclinic
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_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                66.838(2)
_cell_angle_beta                 73.267(2)
_cell_angle_gamma                64.731(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1191(18)
_cell_length_b                   13.987(2)
_cell_length_c                   14.338(2)
_cell_measurement_reflns_used    9366
_cell_measurement_temperature    200(2)
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_cell_measurement_theta_min      2.61
_cell_volume                     1999.6(5)
_computing_cell_refinement       'APEX II (Bruker, 2009)'
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
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_diffrn_reflns_theta_max         28.417
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_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_crystal_colour            orange
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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^)+(0.0794P)^2^+0.5077P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 4514293.cif.'
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