Iodination of anilines and phenols with 18-crown-6 supported ICl2-.
Mbatia, Hannah W.; Ulloa, Olbelina A.; Kennedy, Daniel P.; Incarvito, Christopher D.; Burdette, Shawn C.; Organic & biomolecular chemistry 9 (2011) 2987–2991; doi:10.1039/c0ob00926a

data_7151780
_publ_section_title
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 Iodination of anilines and phenols with 18-crown-6 supported ICl2-.
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_journal_issue                   8
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2987
_journal_page_last               2991
_journal_paper_doi               10.1039/c0ob00926a
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C12 H24 Cl2 I K O6 '
_chemical_formula_sum            'C12 H24 Cl2 I K O6'
_chemical_formula_weight         501.23
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 101.873(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   8.8860(9)
_cell_length_b                   8.1987(8)
_cell_length_c                   13.9274(13)
_cell_measurement_reflns_used    8613
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3.0
_cell_volume                     992.95(17)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 6.85
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10037
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.112
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.704
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.676
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             500.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     104
_refine_ls_number_reflns         2271
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0198P)^2^+0.4172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                1745
_reflns_number_total             2271
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c0ob00926a.txt
_cod_data_source_block           SB04
_cod_original_cell_volume        992.96(16)
_cod_original_formula_sum        'C12 H24 Cl2 I K O6 '
_cod_database_code               7151780