Unique regioselectivity of the Pd-catalysed cross-dehydrogenative coupling reaction of simple polyaromatic hydrocarbons with polyfluoroarenes
Sato, Ryota; Iida, Tomoki; Kanbara, Takaki; Kuwabara, Junpei; Chemical Communications  (2022) –; doi:10.1039/D2CC04655E

data_7130750
_publ_section_title
;
 Unique regioselectivity of the Pd-catalysed cross-dehydrogenative
 coupling reaction of simple polyaromatic hydrocarbons with
 polyfluoroarenes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC04655E
_journal_year                    2022
_chemical_formula_moiety         'C22 H6 F10'
_chemical_formula_sum            'C22 H6 F10'
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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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-07-27 deposited with the CCDC.	2022-09-09 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.966(2)
_cell_angle_gamma                90.0000
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_cell_length_b                   6.2622(10)
_cell_length_c                   13.262(2)
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_cell_measurement_temperature    120
_cell_measurement_theta_max      27.06
_cell_measurement_theta_min      3.09
_cell_volume                     1651.2(4)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        Unknown
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         2.049
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_exptl_absorpt_coefficient_mu    0.187
_exptl_absorpt_correction_T_max  0.7455
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       nONE
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_exptl_crystal_size_max          0.134
_exptl_crystal_size_mid          0.069
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0615P)^2^+5.0524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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