Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization.
Borah, Arun Jyoti; Shi, Zhuangzhi; Journal of the American Chemical Society 140 (2018) 6062–6066; doi:10.1021/jacs.8b03560

data_4132380
_publ_section_title
;
 Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins
 through a Long-Range Deconjugative Isomerization.
;
_journal_issue                   19
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6062
_journal_page_last               6066
_journal_paper_doi               10.1021/jacs.8b03560
_journal_volume                  140
_journal_year                    2018
_chemical_formula_sum            'C22 H33 N2 P'
_chemical_formula_weight         356.47
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
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_cell_angle_beta                 90.349(3)
_cell_angle_gamma                90
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_cell_length_b                   8.3103(5)
_cell_length_c                   22.7142(14)
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_cell_measurement_temperature    153(2)
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_cell_measurement_theta_min      2.17
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0696
_diffrn_reflns_av_unetI/netI     0.0526
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
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_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.585
_exptl_absorpt_coefficient_mu    0.139
_exptl_crystal_colour
;
;
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_description
;
;
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
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_refine_diff_density_min         -0.365
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3642
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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^)+(0.0443P)^2^+4.5059P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             3642
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b03560_si_002.cif
_cod_data_source_block           11
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_estimated_absorpt_t_max   0.975
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