Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.
Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.; Organic & biomolecular chemistry 21 (2023) 1942–1951; doi:10.1039/d2ob02193e

data_7159158
_publ_section_title
;
 Diyne-steered switchable regioselectivity in cobalt(II)-catalysed
 C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.
;
_journal_issue                   9
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1942
_journal_page_last               1951
_journal_paper_doi               10.1039/d2ob02193e
_journal_volume                  21
_journal_year                    2023
_chemical_formula_sum            'C28 H19 Br N2 O2'
_chemical_formula_weight         495.36
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-11-02 deposited with the CCDC.	2023-01-18 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   18.7259(6)
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_av_R_equivalents  0.0272
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
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_exptl_crystal_description       Rectangular
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0378P)^2^+1.8119P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0879
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3207
_reflns_number_total             3966
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2ob02193e2.cif
_cod_data_source_block           ch3
_cod_depositor_comments
'Adding full bibliography for 7159156--7159161.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7159158
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_shelx_res_checksum              52606