Cobalt-mediated regio- and stereoselective assembly of dienamides by hydroaminative alkyne coupling of alpha,omega-diynes.
Gandon, Vincent; Aubert, Corinne; Malacria, Max; Vollhardt, K Peter C; Chemical communications (Cambridge, England)  (2008) 1599–1601; doi:10.1039/b716841a

data_7103001
_publ_section_title
;
 Cobalt-mediated regio- and stereoselective assembly of dienamides by
 hydroaminative alkyne coupling of alpha,omega-diynes.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1599
_journal_page_last               1601
_journal_paper_doi               10.1039/b716841a
_journal_year                    2008
_chemical_formula_moiety         'C28 H27 Co N2 '
_chemical_formula_sum            'C28 H27 Co N2'
_chemical_formula_weight         450.47
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Mon Sep 24 12:23:39 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                71.659(2)
_cell_angle_beta                 76.963(2)
_cell_angle_gamma                84.780(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5711(9)
_cell_length_b                   11.404(1)
_cell_length_c                   11.822(1)
_cell_measurement_reflns_used    2066
_cell_measurement_temperature    156.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      3.5
_cell_volume                     1068.4(2)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_computing_data_reduction        'Bruker-AXS SAINT v6.40'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR97
_diffrn_measured_fraction_theta_full 0.9669
_diffrn_measured_fraction_theta_max 0.9669
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8102
_diffrn_reflns_theta_full        25.32
_diffrn_reflns_theta_max         25.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.878
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocklike
_exptl_crystal_F_000             472.00
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.533
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     278
_refine_ls_number_reflns         2731
_refine_ls_R_factor_all          0.0631
_refine_ls_R_factor_gt           0.0371
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0423
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                2731
_reflns_number_total             3773
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b716841a.txt
_cod_data_source_block           Vincent_Gandon_vgad57_at_-
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C28 H27 Co N2 '
_cod_database_code               7103001