Palladium-Catalyzed Intermolecular Carbene Insertion Prior to Intramolecular Heck Cyclization: Synthesis of 2-Arylidene-3-aryl-1-indanones.
Arunprasath, Dhanarajan; Muthupandi, Pandi; Sekar, Govindasamy; Organic letters 17 (2015) 5448–5451; doi:10.1021/acs.orglett.5b02803

data_1555403
_publ_section_title
;
 Palladium-Catalyzed Intermolecular Carbene Insertion Prior to
 Intramolecular Heck Cyclization: Synthesis of
 2-Arylidene-3-aryl-1-indanones.
;
_journal_issue                   21
_journal_name_full               'Organic letters'
_journal_page_first              5448
_journal_page_last               5451
_journal_paper_doi               10.1021/acs.orglett.5b02803
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C22 H15 Br O '
_chemical_formula_sum            'C22 H15 Br O'
_chemical_formula_weight         375.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-08-25 # Formatted by publCIF

;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0293
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_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       6
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_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_description       Rectangular
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         2836
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0239P)^2^+0.6610P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0650
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2078
_reflns_number_total             2836
_reflns_threshold_expression     'I > 2\s(I)'
_publcif_datablock.id            {b31172fd-1be8-43a7-9a4f-576268133e87}
_publcif_info_exptl_table_max_cols 4
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_cod_data_source_file            ol5b02803_si_002.cif
_cod_data_source_block           53
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1555403
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.582
_shelx_estimated_absorpt_t_max   0.793
_shelx_res_checksum              20377
_shelx_hkl_checksum              44858