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_7102997
_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         'C16 H15 N O2 '
_chemical_formula_sum            'C16 H15 N O2'
_chemical_formula_weight         253.30
_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             'Wed Sep 26 17:54:40 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                79.270(2)
_cell_angle_beta                 81.141(2)
_cell_angle_gamma                82.075(2)
_cell_formula_units_Z            2
_cell_length_a                   7.848(1)
_cell_length_b                   8.298(1)
_cell_length_c                   10.572(2)
_cell_measurement_reflns_used    1275
_cell_measurement_temperature    177.2
_cell_measurement_theta_max      23.5
_cell_measurement_theta_min      2.5
_cell_volume                     664.1(2)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.631'
_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 0.9853
_diffrn_measured_fraction_theta_max 0.9853
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5917
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocky
_exptl_crystal_F_000             268.00
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.651
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1727
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.0002
_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         0.0521
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                1727
_reflns_number_total             2551
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b716841a.txt
_cod_data_source_block           Vincent_Gandon_vgad30_at_-
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C16 H15 N O2 '
_cod_database_code               7102997