Iron-Catalyzed [2π + 2π] Cycloaddition of α,ω-Dienes: The Importance of Redox-Active Supporting Ligands
Bouwkamp, Marco W.; Bowman, Amanda C.; Lobkovsky, Emil; Chirik, Paul J.; Journal of the American Chemical Society 128 (2006) 13340–13341; doi:10.1021/ja064711u

data_4110970
_publ_section_title
;
 Iron-Catalyzed [2\p + 2\p] Cycloaddition of \a,\w-Dienes:
 The Importance of Redox-Active Supporting Ligands
;
_journal_coden_ASTM              JACSAT
_journal_issue                   41
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13340
_journal_page_last               13341
_journal_paper_doi               10.1021/ja064711u
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety         'C39 H54 Fe N4'
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_computing_cell_refinement       'Bruker SAINT+'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark brown'
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_exptl_crystal_description       plate
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_platon_squeeze_details          ' ?'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0780P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1371
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja064711usi20060703_113835.cif
_cod_data_source_block           mwb28
_cod_depositor_comments
;
 Updated bibliographical information.

 Antanas Vaitkus,
 2019-09-17

 Added the _chemical_formula_moiety data item.

 Antanas Vaitkus,
 2019-09-17
;
_cod_original_cell_volume        3888.4(14)
_cod_database_code               4110970