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_1504268
_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         'C25 H16 O5'
_chemical_formula_sum            'C25 H16 O5'
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_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
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_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.545(5)
_cell_length_b                   20.367(5)
_cell_length_c                   11.172(5)
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_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     1901.3(15)
_computing_cell_refinement       'USER DEFINED CELL REFINEMENT'
_computing_data_collection       'USER DEFINED DATA COLLECTION'
_computing_data_reduction        'USER DEFINED DATA REDUCTION'
_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    'SHELXS 86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.954
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_diffrn_measurement_device_type  Unknown
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
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_diffrn_reflns_theta_full        25.070
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_diffrn_reflns_theta_min         2.000
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_refine_ls_extinction_method     'Larson (1970), Equation 22'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982) 
 [weight] = 1.0/[A~0~*T~0~(x)+A~1~*T~1~(x) ... +A~n-1~]*T~n-1~(x)] 
 where A~i~ are the Chebychev coefficients listed below and x= Fcalc/Fmax 
 Method = Robust Weighting (Prince, 1982) 
 W = [weight] * [1-(deltaF/6*sigmaF)^2^]^2^ 
 A~i~ are: 
 0.333 0.224 0.752E-01 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2136
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_reflns_limit_k_min              0
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_reflns_limit_l_min              0
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_reflns_threshold_expression     I>2.0\s(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_scale          0.2714(12)
_oxford_structure_analysis_title 'import in P 21/c'
_cod_data_source_file            ol902189q_si_001.cif
_cod_data_source_block           CRYSTALS_cif
_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               1504268