Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via C-H Activation
Denise A. Colby; Robert G. Bergman; Jonathan A. Ellman; Journal of the American Chemical Society 130 (2008) 3645–3651; doi:10.1021/ja7104784

data_4107557
_publ_section_title
;
 Synthesis of Dihydropyridines and Pyridines from Imines and Alkynes via
 C-H Activation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3645
_journal_page_last               3651
_journal_paper_doi               10.1021/ja7104784
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C55 H75 Cl Fe2 N P2 Rh '
_chemical_formula_sum            'C55 H75 Cl Fe2 N P2 Rh'
_chemical_formula_weight         1062.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_audit_creation_date             'Wed May 31 14:32:33 2006'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 113.504(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.888(3)
_cell_length_b                   13.641(2)
_cell_length_c                   21.276(4)
_cell_measurement_reflns_used    4202
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      24.5
_cell_measurement_theta_min      3.0
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_computing_data_collection       'Bruker-AXS SMART v5.054'
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_diffrn_measured_fraction_theta_max 0.9446
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_theta_max         26.38
_diffrn_standards_decay_%        0
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_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
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_exptl_crystal_description       blocklike
_exptl_crystal_F_000             2224.00
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_exptl_crystal_size_mid          0.070
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_refine_diff_density_min         -0.46
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     F^2^>3.0\s(F^2^)
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_cod_data_source_block           dc3150_for_Denise_Colby_@_
_cod_original_cell_volume        5027(1)
_cod_original_sg_symbol_H-M      'P 21/a '
_cod_original_formula_sum        'C55 H75 Cl Fe2 N P2 Rh '
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