Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.
Rao, Maddali L. N.; Islam, Sk Shamim; Organic & biomolecular chemistry 19 (2021) 9076–9080; doi:10.1039/d1ob01765a

data_7158339
_publ_section_title
;
 Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from
 <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.
;
_journal_issue                   41
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              9076
_journal_page_last               9080
_journal_paper_doi               10.1039/d1ob01765a
_journal_volume                  19
_journal_year                    2021
_chemical_formula_sum            'C30 H19 N O'
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_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-10-23 deposited with the CCDC.	2021-10-04 downloaded from the CCDC.
;
_cell_angle_alpha                72.9290(10)
_cell_angle_beta                 85.1410(10)
_cell_angle_gamma                80.7110(10)
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_cell_length_b                   11.1120(5)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      4.1
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 Advance diffractometer'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       8
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_reflns_theta_full        25.027
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_diffrn_reflns_theta_min         4.082
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectengular
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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^)+(0.0611P)^2^+0.1329P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1087
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_reflns_number_gt                2883
_reflns_number_total             3498
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ob01765a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7158339.cif.'
_cod_database_code               7158339
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.982
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              88930
_shelx_hkl_checksum              95628