Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.
He, Ling; Chan, Philip Wai Hong; Tsui, Wai-Man; Yu, Wing-Yiu; Che, Chi-Ming; Organic letters 6 (2004) 2405–2408; doi:10.1021/ol049232j

data_1507078
_publ_section_title
;
 Ruthenium(II) porphyrin-catalyzed amidation of aromatic heterocycles.
;
_journal_issue                   14
_journal_name_full               'Organic letters'
_journal_page_first              2405
_journal_page_last               2408
_journal_paper_doi               10.1021/ol049232j
_journal_volume                  6
_journal_year                    2004
_chemical_formula_moiety         'C18 H20 N3 O3 S'
_chemical_formula_sum            'C18 H20 N3 O3 S'
_chemical_formula_weight         358.43
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 101.95(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.785(2)
_cell_length_b                   6.1130(12)
_cell_length_c                   25.017(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    253(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1763.2(6)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Shelxs-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      253(2)
_diffrn_measured_fraction_theta_full 0.841
_diffrn_measured_fraction_theta_max 0.841
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       12
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_diffrn_reflns_limit_k_min       -6
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_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            9460
_diffrn_reflns_theta_full        25.41
_diffrn_reflns_theta_max         25.41
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.206
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.4
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_refine_diff_density_max         0.365
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_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         2740
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_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0970P)^2^+0.2485P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1638
_reflns_number_gt                2117
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol049232jsi20040427_125843.cif
_cod_data_source_block           mar1068
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1507078