Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters
Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin; Journal of Organic Chemistry 77 (2012) 7901–7912; doi:10.1021/jo301114k

data_4027497
_publ_section_title
;
 Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones.
 Application to the Synthesis of Enantiopure Quaternary \a-Amino Esters
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7901
_journal_page_last               7912
_journal_paper_doi               10.1021/jo301114k
_journal_volume                  77
_journal_year                    2012
_chemical_formula_moiety         'C14 H17 N3 O4 '
_chemical_formula_sum            'C14 H17 N3 O4'
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_symmetry_space_group_name_Hall  '-P 1'
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_audit_creation_method           'by teXsan v1.8'
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_cell_length_b                   10.132(2)
_cell_length_c                   11.589(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.0
_cell_measurement_theta_max      24.3
_cell_measurement_theta_min      20.6
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_computing_data_collection       'Bruker-Enraf-Nonius MACH3'
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_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  CAD-4
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_reflns_theta_max         72.86
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_refine_diff_density_min         -0.32
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_refine_ls_goodness_of_fit_ref   1.867
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_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00133|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                2193
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_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            jo301114k_si_001.cif
_cod_data_source_block           CHA
_cod_original_cell_volume        717.7(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C14 H17 N3 O4 '
_cod_database_code               4027497