Synthesis of Functionalized Benzo[b]furans via Oxidative Cyclization of o-Cinnamyl Phenols.
Rehan, Mohammad; Nallagonda, Rajender; Das, Braja Gopal; Meena, Tannu; Ghorai, Prasanta; The Journal of organic chemistry  (2017) –; doi:10.1021/acs.joc.6b02752

data_4032383
_publ_section_title
;
 Synthesis of Functionalized Benzo[b]furans via Oxidative Cyclization of
 o-Cinnamyl Phenols.
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.6b02752
_journal_year                    2017
_chemical_formula_sum            'C22 H18 O'
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_cell_length_c                   10.0871(11)
_cell_measurement_reflns_used    3865
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_cell_measurement_theta_min      2.36
_cell_volume                     1600.5(3)
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_av_R_equivalents  0.1344
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_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   none
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_exptl_crystal_description       plate
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_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .09
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_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3395
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2237
_reflns_number_total             3395
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo6b02752_si_002.cif
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_cod_database_code               4032383
_shelxl_version_number           2014/6
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