A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins.
Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno; Organic letters 11 (2009) 5254–5257; doi:10.1021/ol902189q

data_1504269
_publ_section_title
;
 A Pd-catalyzed heteroannulation approach to 2,3-disubstituted
 furo[3,2-c]coumarins.
;
_journal_issue                   22
_journal_name_full               'Organic letters'
_journal_page_first              5254
_journal_page_last               5257
_journal_paper_doi               10.1021/ol902189q
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety         'C24 H16 N2 O4'
_chemical_formula_sum            'C24 H16 N2 O4'
_chemical_formula_weight         396.40
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 98.460(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.538(2)
_cell_length_b                   7.3010(8)
_cell_length_c                   16.871(2)
_cell_measurement_reflns_used    2622
_cell_measurement_temperature    293
_cell_measurement_theta_max      29.0306
_cell_measurement_theta_min      2.6431
_cell_volume                     1893.1(4)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.34d (release 27-02-2009 CrysAlis171 .NET)
(compiled Feb 27 2009,15:38:38)
;
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.843
_diffrn_measurement_device       'Oxford Diffraction XCALIBUR'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8628
_diffrn_reflns_theta_full        25.016
_diffrn_reflns_theta_max         29.0306
_diffrn_reflns_theta_min         2.6431
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.48
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_refine_ls_extinction_method     None
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_refine_ls_matrix_type           full
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_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.0003538
_refine_ls_shift/su_mean         3.0843403
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.08P)^2^ + 0.10P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
_reflns_number_gt                2491
_reflns_number_total             4270
_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_r_factor_ref   0.0778
_oxford_refine_ls_scale          3.55(6)
_oxford_reflns_number_all        4256
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_cod_data_source_file            ol902189q_si_002.cif
_cod_data_source_block           1
_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      'P 1 21/c 1 '
_cod_database_code               1504269