Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.
Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.; Organic letters 11 (2009) 815–818; doi:10.1021/ol802755z

data_1503771
_publ_contact_author
; 
   Prof. Helena C. Malinakova 
   Department of Chemistry -- University of Kansas
   1251 Wescoe Hall Drive, Rm 2010
   Lawrence, Kansas 66045  USA 
   and the
   Center for Methodology and Library Development
        at the University of Kansas
   1501 Wakarusa Drive 
   Lawrence, Kansas 66047  USA 
;
_publ_section_title
;
 Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation
 protocol for the synthesis of indenoisoquinolines.
;
_journal_issue                   4
_journal_name_full               'Organic letters'
_journal_page_first              815
_journal_page_last               818
_journal_paper_doi               10.1021/ol802755z
_journal_volume                  11
_journal_year                    2009
_chemical_formula_sum            'C24 H21 N O3 S'
_chemical_formula_weight         403.48
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.1318(5)
_cell_length_b                   12.3053(7)
_cell_length_c                   17.1245(10)
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_cell_measurement_temperature    100(2)
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_cell_volume                     1920.97(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -17
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_full        30.01
_diffrn_reflns_theta_max         30.01
_diffrn_reflns_theta_min         2.38
_diffrn_standards_decay_%        0.00
_exptl_absorpt_coefficient_mu    0.195
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.938
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Irregular chunk'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0718P)^2^+0.3424P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1124
_reflns_number_gt                4943
_reflns_number_total             5590
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol802755z_si_002.cif
_cod_data_source_block           k98e_(Cmpd_5j)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1503771