Synthesis of (Z)-β-halo α,β-unsaturated carbonyl systems via the combination of halotrimethylsilane and tetrafluoroboric acid.
da Silva, Vitor A. F.; da Silva, Gustavo P.; Matsuo, Bianca T.; Ali, Akbar; Davis, Rebecca L.; Zukerman-Schpector, Julio; Corrêa, Arlene G; Paixão, Márcio W; Organic & biomolecular chemistry 17 (2019) 519–526; doi:10.1039/c8ob02110d

data_7156609
_publ_section_title
;
 Synthesis of (Z)-\b-halo \a,\b-unsaturated carbonyl systems via the
 combination of halotrimethylsilane and tetrafluoroboric acid.
;
_journal_issue                   3
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              519
_journal_page_last               526
_journal_paper_doi               10.1039/c8ob02110d
_journal_volume                  17
_journal_year                    2019
_chemical_formula_moiety         'C15 H10 Br N O3'
_chemical_formula_sum            'C15 H10 Br N O3'
_chemical_formula_weight         332.14
_chemical_melting_point          353.7
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-05-16 deposited with the CCDC.
2018-12-11 downloaded from the CCDC.
;
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_cell_formula_units_Z            4
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_cell_volume                     1354.74(12)
_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
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'MarvinSketch (ChemAxon, 2010) & PublCIF (Westrip, 2010)'
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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'Re-crystallisation from solvent: Chloroform'
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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^)+(0.0508P)^2^+0.4883P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0958
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_reflns_number_gt                2292
_reflns_number_total             2785
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7156609.cif.'
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