Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling
Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta; Journal of Organic Chemistry 77 (2012) 4740–4750; doi:10.1021/jo300548z

data_4027205
_publ_contact_author_address
;
  Prof. Jos\'e M. Lassaletta
     Instituto de Investigaciones Qu\'imicas, C.S.I.C-Universidad de Sevilla,
     Avd. Am\'erico Vespucio, 49., Isla de la Cartuja, E-41092 Sevilla,  Spain  
;
_publ_contact_author_email       jmlassa@iiq.csic.es
_publ_contact_author_fax         '+34 954 460565'
_publ_contact_author_name        'Prof. Jos\'e M. Lassaletta'
_publ_contact_author_phone       '+34 954 489563'
_publ_section_title
;
 Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura
 Cross-Coupling
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4740
_journal_page_last               4750
_journal_paper_doi               10.1021/jo300548z
_journal_volume                  77
_journal_year                    2012
_chemical_absolute_configuration rmad
_chemical_formula_moiety         'C35 H31 Cl2 N2 P Pd, 2(C H2 Cl2)'
_chemical_formula_sum            'C37 H35 Cl6 N2 P Pd'
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_chemical_name_systematic
; 
 ? 
;
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_cell_length_c                   11.2749(7)
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_computing_cell_refinement       'APEX2 Software Suite (Bruker, 2007)'
_computing_data_collection       'APEX2 Software Suite (Bruker, 2007)'
_computing_data_reduction        'APEX2 Software Suite (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla et al., 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
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_diffrn_measurement_device_type
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
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;
program SADABS, Bruker (2001).
;
_exptl_crystal_colour            orange
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_refine_diff_density_max         0.674
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.020(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7710
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_refine_ls_restrained_S_all      0.997
_refine_ls_R_factor_all          0.0311
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0282P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0594
_refine_ls_wR_factor_ref         0.0602
_reflns_number_gt                7177
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo300548z_si_002_2.cif
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_cod_database_code               4027205