Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated Enynes with Alkenes
Akira Nishimura; Masato Ohashi; Sensuke Ogoshi; Journal of the American Chemical Society 134 (2012) 15692–15695; doi:10.1021/ja3074775

data_4118697
_publ_contact_author_email       ogoshi@chem.eng.osaka-u.ac.jp
_publ_contact_author_fax         '+81 6 6879 7394'
_publ_contact_author_name        'Prof. Sensuke Ogoshi'
_publ_contact_author_phone       '+81 6 6879 7393'
_publ_section_title
;
 Nickel-Catalyzed Intermolecular [2 + 2] Cycloaddition of Conjugated
 Enynes with Alkenes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15692
_journal_page_last               15695
_journal_paper_doi               10.1021/ja3074775
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C50 H68 N2 Ni O'
_chemical_formula_sum            'C50 H68 N2 Ni O'
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_symmetry_cell_setting           monoclinic
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 94.353(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
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_cell_length_b                   12.910(4)
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_cell_measurement_reflns_used    21740
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.60
_cell_measurement_theta_min      3.00
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_computing_cell_refinement       'CrystalClear-SM Auto 2.0 r4'
_computing_data_collection       'CrystalClear-SM Auto 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Auto 2.0 r4'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
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_exptl_absorpt_coefficient_mu    0.459
_exptl_absorpt_correction_T_max  0.863
_exptl_absorpt_correction_T_min  0.536
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            yellow
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0531P)^2^+3.1711P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1669
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja3074775_si_002_2.cif
_cod_data_source_block           4bf
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