Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative C-N Bond Formation
Scott P. West; Alakesh Bisai; Andrew D. Lim; Raja R. Narayan; Richmond Sarpong; Journal of the American Chemical Society 131 (2009) 11187–11194; doi:10.1021/ja903868n

data_4104837
_publ_section_title
;
 Total Synthesis of (+)-Lyconadin A and Related Compounds via Oxidative
 C-N Bond Formation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11187
_journal_page_last               11194
_journal_paper_doi               10.1021/ja903868n
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C27 H32 N2 O7 '
_chemical_formula_sum            'C27 H32 N2 O7'
_chemical_formula_weight         496.56
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_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 Apr 11 16:04:46 2007'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                69.127(1)
_cell_angle_beta                 83.691(1)
_cell_angle_gamma                77.491(1)
_cell_formula_units_Z            2
_cell_length_a                   10.5537(8)
_cell_length_b                   10.9345(7)
_cell_length_c                   11.9132(8)
_cell_measurement_reflns_used    3991
_cell_measurement_temperature    165.2
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      3.0
_cell_volume                     1253.25(15)
_computing_cell_refinement       'Bruker-AXS SAINT v6.40'
_computing_data_collection       'Bruker-AXS SMART v5.054'
_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 0.9127
_diffrn_measured_fraction_theta_max 0.9127
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_min       -13
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_diffrn_reflns_number            9728
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.910
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_description       blocky
_exptl_crystal_F_000             528.00
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.000
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         3442
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0593
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                3442
_reflns_number_total             4662
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ja903868n_si_005.cif
_cod_data_source_block           Alakesh_abi-107
_cod_original_cell_volume        1253.3(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C27 H32 N2 O7 '
_cod_database_code               4104837