N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction of O-propargylic oximes with azodicarboxylates
Nakamura, Itaru; Jo, Takeru; Zhang, Dong; Terada, Masahiro; Org. Chem. Front. 1 (2014) 914–; doi:10.1039/C4QO00156G

data_1553008
_publ_section_title
;
 N-Allenylnitrone acts as 2-azadiene in the Cu-catalyzed cascade reaction
 of O-propargylic oximes with azodicarboxylates
;
_journal_issue                   8
_journal_name_full               'Org. Chem. Front.'
_journal_page_first              914
_journal_paper_doi               10.1039/C4QO00156G
_journal_volume                  1
_journal_year                    2014
_chemical_formula_moiety         'C26 H31 N3 O5'
_chemical_formula_sum            'C26 H31 N3 O5'
_chemical_formula_weight         465.55
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 82.524(6)
_cell_angle_gamma                85.510(6)
_cell_formula_units_Z            2
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_cell_length_b                   11.166(3)
_cell_length_c                   17.891(4)
_cell_measurement_reflns_used    10408
_cell_measurement_temperature    150
_cell_measurement_theta_max      27.70
_cell_measurement_theta_min      3.00
_cell_volume                     1288.8(5)
_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'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 6.827
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku XtaLAB mini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0620
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -23
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_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.200
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0620P)^2^+0.0737P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1512
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_cod_data_source_file            c4qo00156g2.cif
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