Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and Heteroarene C-H Bonds.
Mandal, Anup; Sahoo, Harekrishna; Baidya, Mahiuddin; Organic letters 18 (2016) 3202–3205; doi:10.1021/acs.orglett.6b01420

data_1543795
_publ_section_title
;
 Copper-Catalyzed 8-Aminoquinoline-Directed Selenylation of Arene and
 Heteroarene C-H Bonds.
;
_journal_issue                   13
_journal_name_full               'Organic letters'
_journal_page_first              3202
_journal_page_last               3205
_journal_paper_doi               10.1021/acs.orglett.6b01420
_journal_volume                  18
_journal_year                    2016
_chemical_formula_moiety         'C20 H14 N2 O3 S Se'
_chemical_formula_sum            'C20 H14 N2 O3 S Se'
_chemical_formula_weight         441.35
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_cell_angle_gamma                90
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_cell_measurement_theta_min      2.52
_cell_volume                     1803.74(10)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD detector'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0251
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_point_group_measured_fraction_max 1.000
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_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         1.383
_exptl_absorpt_coefficient_mu    2.221
_exptl_absorpt_correction_T_max  0.761
_exptl_absorpt_correction_T_min  0.607
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             888
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
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_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     248
_refine_ls_number_reflns         3175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0263
_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^)+(0.0269P)^2^+0.9952P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
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_reflns_number_total             3175
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.607
_shelx_estimated_absorpt_t_max   0.761
_shelx_res_checksum              2188
_shelx_hkl_checksum              77348