Formation of δ-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type Coupling of β-Oxoesters, Enol Acetates, and Dioxygen.
Geibel, Irina; Dierks, Anna; Schmidtmann, Marc; Christoffers, Jens; The Journal of organic chemistry 81 (2016) 7790–7798; doi:10.1021/acs.joc.6b01441

data_4037087
_publ_section_title
;
 Formation of \d-Lactones by Cerium-Catalyzed, Baeyer-Villiger-Type
 Coupling of \b-Oxoesters, Enol Acetates, and Dioxygen.
;
_journal_issue                   17
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7790
_journal_page_last               7798
_journal_paper_doi               10.1021/acs.joc.6b01441
_journal_volume                  81
_journal_year                    2016
_chemical_formula_structural     C16H17BrO5
_chemical_formula_sum            'C16 H17 Br O5'
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_cell_measurement_theta_min      2.24
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_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
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_diffrn_measured_fraction_theta_max 1.000
_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_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
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_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         1.766
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_max  0.9396
_exptl_absorpt_correction_T_min  0.4164
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS-2014/5 (Sheldrick)'
_exptl_crystal_colour            colourless
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6098
_refine_ls_number_restraints     0
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_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0400P)^2^+1.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0785
_refine_ls_wR_factor_ref         0.0815
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_reflns_number_gt                5360
_reflns_number_total             6098
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo6b01441_si_003.cif
_cod_data_source_block           11ab
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4037087
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.425
_shelx_estimated_absorpt_t_max   0.935
_exptl_absorpt_special_details
;
 numerical absorption correction followed by correction based on
 symmetry-related measurements (multi-scan)
;
_shelx_res_checksum              48495
_shelx_hkl_checksum              63871