Norbornadiene as a Building Block for the Synthesis of Linked Benzazocinones and Benzazocinium Salts through Tetranuclear Carbopalladated Intermediates
García-López, José Antonio; Frutos-Pedreño, Roberto; Bautista, Delia; Saura-Llamas, Isabel; Vicente, José; Organometallics 36 (2017) 372–; doi:10.1021/acs.organomet.6b00795

data_4086889
_publ_section_title
;
 Norbornadiene as a Building Block for the Synthesis of Linked
 Benzazocinones and Benzazocinium Salts through Tetranuclear
 Carbopalladated Intermediates
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              372
_journal_paper_doi               10.1021/acs.organomet.6b00795
_journal_volume                  36
_journal_year                    2017
_chemical_formula_sum            'C37 H53 Cl N4 Pd'
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_symmetry_space_group_name_Hall  '-P 3 2c'
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_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2011)'
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_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       '\w-scans and phi scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         27.217
_diffrn_reflns_theta_min         1.849
_diffrn_source                   'high brilliance microfocus sealed tube '
_exptl_absorpt_coefficient_mu    0.526
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
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_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0529
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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^)+(0.0531P)^2^+36.1129P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             9466
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            om6b00795_si_002.cif
_cod_data_source_block           galo74_platon_sq
_cod_depositor_comments
'Adding full bibliography for 4086885--4086890.cif.'
_cod_original_cell_volume        12710(2)
_cod_database_code               4086889
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_shelx_res_checksum              9739
_shelx_hkl_checksum              78040
_shelx_fab_checksum              11663