Zinc-mediated carboxylations of allylic and propargylic halides in flow: synthesis of β-lactones via subsequent bromolactonization
Sutter, Patrick J.; Kang, Guowei; Vellalath, Sreekumar; Romo, Daniel; RSC Advances 13 (2023) 3468–3473; doi:10.1039/D2RA07715A

data_7246200
_publ_section_title
;
 Zinc-mediated carboxylations of allylic and propargylic halides in flow:
 synthesis of \b-lactones via subsequent bromolactonization
;
_journal_issue                   6
_journal_name_full               'RSC Advances'
_journal_page_first              3468
_journal_page_last               3473
_journal_paper_doi               10.1039/D2RA07715A
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C8 H11 Br O2'
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-01-18 deposited with the CCDC.	2023-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.6391(10)
_cell_angle_gamma                90
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_cell_length_c                   13.2419(4)
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_cell_measurement_temperature    150(2)
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_cell_measurement_theta_min      3.36
_cell_volume                     1717.15(9)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.996
_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  0.0370
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_diffrn_reflns_Laue_measured_fraction_full 0.996
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_exptl_absorpt_correction_T_max  0.293
_exptl_absorpt_correction_T_min  0.212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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_refine_ls_R_factor_all          0.0224
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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^)+(0.0210P)^2^+1.9663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0533
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_res_checksum              69762