Palladium-catalyzed cyclization of benzamides with arynes: application to the synthesis of phenaglydon and N-methylcrinasiadine
Sandeep Pimparkar; Masilamani Jeganmohan; Chem.Commun. 50 (2014) 12116–; doi:10.1039/C4cc05252H

data_7115720
_publ_section_title
;
 Palladium-catalyzed cyclization of benzamides with arynes: application to
 the synthesis of phenaglydon and N-methylcrinasiadine
;
_journal_name_full               Chem.Commun.
_journal_page_first              12116
_journal_paper_doi               10.1039/C4cc05252H
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C26 H30 N4 O10 Pd3'
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_chemical_name_systematic        'organometallic complex'
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_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
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_cell_angle_gamma                120
_cell_formula_units_Z            9
_cell_length_a                   27.371(3)
_cell_length_b                   27.371(3)
_cell_length_c                   10.3756(12)
_cell_measurement_temperature    296(2)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_diffrn_reflns_limit_k_max       33
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_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
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_diffrn_reflns_theta_max         26.349
_diffrn_reflns_theta_min         1.488
_exptl_absorpt_coefficient_mu    1.845
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_description       needle
_exptl_crystal_F_000             3888
_exptl_crystal_recrystallization_method 'Vapour Deposition'
_refine_diff_density_max         1.570
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     200
_refine_ls_number_reflns         3063
_refine_ls_number_restraints     65
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2617
_reflns_number_total             3063
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc05252h2.cif
_cod_data_source_block           TR1_a
_cod_original_cell_volume        6731.8(17)
_cod_database_code               7115720
_shelxl_version_number           2013-4
_shelx_res_checksum              40049
_shelx_hkl_checksum              46046