Brønsted acid-catalyzed formal [5+2+1] cycloaddition of ynamides and isoxazoles with water: access to oxygen-bridged tetrahydro-1,4-oxazepines.
Zhao, Yingying; Wang, Chunxiang; Hu, Yancheng; Wan, Boshun; Chemical communications (Cambridge, England) 54 (2018) 3963–3966; doi:10.1039/c8cc00881g

data_7121402
_publ_section_title
;
 Br\/onsted acid-catalyzed formal [5+2+1] cycloaddition of ynamides and
 isoxazoles with water: access to oxygen-bridged
 tetrahydro-1,4-oxazepines.
;
_journal_issue                   32
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3963
_journal_page_last               3966
_journal_paper_doi               10.1039/c8cc00881g
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C27 H28 N2 O4 S'
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;
2018-01-28 deposited with the CCDC.
2018-03-16 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 106.721(5)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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_diffrn_reflns_theta_full        25.12
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1243P)^2^+1.4373P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2218
_reflns_number_gt                3194
_reflns_number_total             4419
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8cc00881g2.cif
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'Adding full bibliography for 7121401--7121402.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7121402