SF5-Pyridylaryl-λ(3)-iodonium salts and their utility as electrophilic reagents to access SF5-pyridine derivatives in the late-stage of synthesis.
Das, Prajwalita; Takada, Masahiro; Matsuzaki, Kohei; Saito, Norimichi; Shibata, Norio; Chemical communications (Cambridge, England) 53 (2017) 3850–3853; doi:10.1039/c7cc01043e

data_7119787
_publ_section_title
;
 SF5-Pyridylaryl-\l(3)-iodonium salts and their utility as electrophilic
 reagents to access SF5-pyridine derivatives in the late-stage of
 synthesis.
;
_journal_issue                   27
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3850
_journal_page_last               3853
_journal_paper_doi               10.1039/c7cc01043e
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C15 H14 F8 I N O3 S2'
_chemical_formula_sum            'C15 H14 F8 I N O3 S2'
_chemical_formula_weight         599.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2017-02-08 deposited with the CCDC.
2017-03-08 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.3120(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
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_cell_length_b                   21.2421(4)
_cell_length_c                   23.0334(5)
_cell_measurement_reflns_used    34879
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.00
_cell_volume                     4108.34(14)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla, et al., 2005)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_limit_k_min       -27
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_diffrn_reflns_limit_l_min       -29
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_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
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_exptl_absorpt_coefficient_mu    1.851
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_exptl_absorpt_correction_T_min  0.622
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
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_exptl_crystal_size_mid          0.200
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_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0396P)^2^+2.9621P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0724
_reflns_number_gt                8286
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c7cc01043e2.cif
_cod_data_source_block           20150827PySF5Mes-2
_cod_depositor_comments          'Adding full bibliography for 7119787.cif.'
_cod_original_cell_volume        4108.35(13)
_cod_database_code               7119787